CID 121536

Himachalol

Structural Information

Molecular Formula
C15H26O
SMILES
CC1=C[C@H]2[C@@H](CC1)[C@](CCCC2(C)C)(C)O
InChI
InChI=1S/C15H26O/c1-11-6-7-12-13(10-11)14(2,3)8-5-9-15(12,4)16/h10,12-13,16H,5-9H2,1-4H3/t12-,13+,15-/m1/s1
InChIKey
BBAMLNIPVMLTSQ-VNHYZAJKSA-N
Compound name
(4aR,5R,9aS)-2,5,9,9-tetramethyl-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulen-5-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

35
Patents

222.19836 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 146.8
[M+Na]+ 245.18758 156.1
[M+NH4]+ 240.23218 158.0
[M+K]+ 261.16152 147.8
[M-H]- 221.19108 149.2
[M+Na-2H]- 243.17303 153.5
[M]+ 222.19781 149.2
[M]- 222.19891 149.2
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