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]+ 255.19548 160.6
[M+Na]+ 277.17742 167.1
[M-H]- 253.18092 160.8
[M+NH4]+ 272.22202 181.4
[M+K]+ 293.15136 163.4
[M+H-H2O]+ 237.18546 156.9
[M+HCOO]- 299.18640 173.1
[M+CH3COO]- 313.20205 191.0
[M+Na-2H]- 275.16287 163.4
[M]+ 254.18765 156.9
[M]- 254.18875 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.