CID 14433067

7-drimene-11,12,14-triol

Structural Information

Molecular Formula
C15H26O3
SMILES
CC1(CCCC2(C1CC=C(C2CO)CO)C)CO
InChI
InChI=1S/C15H26O3/c1-14(10-18)6-3-7-15(2)12(9-17)11(8-16)4-5-13(14)15/h4,12-13,16-18H,3,5-10H2,1-2H3
InChIKey
ZVTXMJUNGOWZRE-UHFFFAOYSA-N
Compound name
[2,5-bis(hydroxymethyl)-5,8a-dimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

254.1882 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.195476 161.6
[M+Na]+ 277.177418 167.2
[M-H]- 253.180924 161.4
[M+NH4]+ 272.222023 182.1
[M+K]+ 293.151358 163.4
[M+H-H2O]+ 237.185460 157.5
[M+HCOO]- 299.186401 174.2
[M+CH3COO]- 313.202051 189.7
[M+Na-2H]- 275.162866 164.9
[M]+ 254.18765142 157.5
[M]- 254.18874858 157.5
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.