CID 90658325

[(4s)-4-(5,5-dimethylcyclohex-1-en-1-yl)-cyclohex-1-en-1-yl]methanol

Structural Information

Molecular Formula
C15H24O
SMILES
CC1(CCC=C(C1)C2CCC(=CC2)CO)C
InChI
InChI=1S/C15H24O/c1-15(2)9-3-4-14(10-15)13-7-5-12(11-16)6-8-13/h4-5,13,16H,3,6-11H2,1-2H3
InChIKey
TWLSWZMXZCBDMX-UHFFFAOYSA-N
Compound name
[4-(5,5-dimethylcyclohexen-1-yl)cyclohexen-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 153.8
[M+Na]+ 243.171928 158.3
[M-H]- 219.175434 158.3
[M+NH4]+ 238.216533 173.5
[M+K]+ 259.145868 155.0
[M+H-H2O]+ 203.179970 147.6
[M+HCOO]- 265.180911 170.8
[M+CH3COO]- 279.196561 187.7
[M+Na-2H]- 241.157376 156.5
[M]+ 220.18216142 148.1
[M]- 220.18325858 148.1
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.