CID 14433069

(3beta,9beta)-7-drimene-3,11,12-triol

Structural Information

Molecular Formula
C15H26O3
SMILES
CC1(C(CCC2(C1CC=C(C2CO)CO)C)O)C
InChI
InChI=1S/C15H26O3/c1-14(2)12-5-4-10(8-16)11(9-17)15(12,3)7-6-13(14)18/h4,11-13,16-18H,5-9H2,1-3H3
InChIKey
FLJVCTAWIDPKTG-UHFFFAOYSA-N
Compound name
5,6-bis(hydroxymethyl)-1,1,4a-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

254.1882 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.195476 160.6
[M+Na]+ 277.177418 167.1
[M-H]- 253.180924 160.8
[M+NH4]+ 272.222023 181.4
[M+K]+ 293.151358 163.4
[M+H-H2O]+ 237.185460 156.9
[M+HCOO]- 299.186401 173.1
[M+CH3COO]- 313.202051 191.0
[M+Na-2H]- 275.162866 163.4
[M]+ 254.18765142 156.9
[M]- 254.18874858 156.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.