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
3
Annotation Hits

10
References

36
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 149.3
[M+Na]+ 245.18758 154.1
[M-H]- 221.19108 153.2
[M+NH4]+ 240.23218 171.0
[M+K]+ 261.16152 154.1
[M+H-H2O]+ 205.19562 145.5
[M+HCOO]- 267.19656 164.1
[M+CH3COO]- 281.21221 191.6
[M+Na-2H]- 243.17303 152.9
[M]+ 222.19781 142.7
[M]- 222.19891 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.