CID 11172836

74636-05-8

Structural Information

Molecular Formula
C15H26O3
SMILES
C[C@]12CCCC(C1[C@@H]([C@H]3[C@@]([C@@H]2CO)(O3)C)O)(C)C
InChI
InChI=1S/C15H26O3/c1-13(2)6-5-7-14(3)9(8-16)15(4)12(18-15)10(17)11(13)14/h9-12,16-17H,5-8H2,1-4H3/t9-,10+,11?,12+,14-,15-/m1/s1
InChIKey
CQPOKEOPVJGEOP-UBSNVAGSSA-N
Compound name
(1aS,2S,6aS,7S,7aR)-7-(hydroxymethyl)-3,3,6a,7a-tetramethyl-2,2a,4,5,6,7-hexahydro-1aH-naphtho[2,3-b]oxiren-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1882 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.195476 160.2
[M+Na]+ 277.177418 169.7
[M-H]- 253.180924 164.3
[M+NH4]+ 272.222023 178.3
[M+K]+ 293.151358 168.7
[M+H-H2O]+ 237.185460 157.1
[M+HCOO]- 299.186401 170.3
[M+CH3COO]- 313.202051 196.7
[M+Na-2H]- 275.162866 166.2
[M]+ 254.18765142 162.5
[M]- 254.18874858 162.5
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.