CID 129909339

(1r,2s,3s,4as,8as)-1-isopropyl-7-methyl-4-methylene-2,3,4a,5,6,8a-hexahydro-1h-naphthalene-2,3-diol

Structural Information

Molecular Formula
C15H24O2
SMILES
CC1=C[C@H]2[C@H](CC1)C(=C)[C@@H]([C@H]([C@@H]2C(C)C)O)O
InChI
InChI=1S/C15H24O2/c1-8(2)13-12-7-9(3)5-6-11(12)10(4)14(16)15(13)17/h7-8,11-17H,4-6H2,1-3H3/t11-,12+,13-,14+,15+/m1/s1
InChIKey
SIRWSEBFQMOFHI-SEBNEYGDSA-N
Compound name
(1R,2S,3S,4aS,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 156.1
[M+Na]+ 259.16685 162.0
[M-H]- 235.17035 157.5
[M+NH4]+ 254.21145 174.4
[M+K]+ 275.14079 158.1
[M+H-H2O]+ 219.17489 151.3
[M+HCOO]- 281.17583 169.2
[M+CH3COO]- 295.19148 193.4
[M+Na-2H]- 257.15230 154.9
[M]+ 236.17708 151.0
[M]- 236.17818 151.0
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.