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]+ 255.19548 160.5
[M+Na]+ 277.17742 169.8
[M+NH4]+ 272.22202 171.0
[M+K]+ 293.15136 160.4
[M-H]- 253.18092 161.2
[M+Na-2H]- 275.16287 165.1
[M]+ 254.18765 162.1
[M]- 254.18875 162.1
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.