CID 3080551

Drimenol

Structural Information

Molecular Formula
C15H26O
SMILES
CC1=CC[C@@H]2[C@@]([C@H]1CO)(CCCC2(C)C)C
InChI
InChI=1S/C15H26O/c1-11-6-7-13-14(2,3)8-5-9-15(13,4)12(11)10-16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13-,15+/m0/s1
InChIKey
HMWSKUKBAWWOJL-KCQAQPDRSA-N
Compound name
[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

173
Patents

222.19836 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 153.2
[M+Na]+ 245.18758 159.8
[M-H]- 221.19108 156.0
[M+NH4]+ 240.23218 176.6
[M+K]+ 261.16152 156.6
[M+H-H2O]+ 205.19562 148.7
[M+HCOO]- 267.19656 168.5
[M+CH3COO]- 281.21221 190.4
[M+Na-2H]- 243.17303 157.2
[M]+ 222.19781 149.7
[M]- 222.19891 149.7
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

patents stripe