CID 53360477

(1ar,4s,4as,7r,7ar,7bs)-1a-(hydroxymethyl)-7-isopropyl-4a-methyl-2,3,4,5,6,7,7a,7b-octahydroazuleno[4,5-b]oxiren-4-ol

Structural Information

Molecular Formula
C15H26O3
SMILES
CC(C)[C@H]1CC[C@]2([C@@H]1[C@H]3[C@@](O3)(CC[C@@H]2O)CO)C
InChI
InChI=1S/C15H26O3/c1-9(2)10-4-6-14(3)11(17)5-7-15(8-16)13(18-15)12(10)14/h9-13,16-17H,4-8H2,1-3H3/t10-,11+,12+,13+,14-,15-/m1/s1
InChIKey
WAYKLJZCQJLECB-MNQBEEPXSA-N
Compound name
(1aR,4S,4aS,7R,7aR,7bS)-1a-(hydroxymethyl)-4a-methyl-7-propan-2-yl-2,3,4,5,6,7,7a,7b-octahydroazuleno[4,5-b]oxiren-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.1882 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.19548 151.2
[M+Na]+ 277.17742 157.5
[M-H]- 253.18092 155.9
[M+NH4]+ 272.22202 167.5
[M+K]+ 293.15136 157.7
[M+H-H2O]+ 237.18546 148.7
[M+HCOO]- 299.18640 162.5
[M+CH3COO]- 313.20205 196.9
[M+Na-2H]- 275.16287 154.5
[M]+ 254.18765 150.5
[M]- 254.18875 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.