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]+ 221.18999 153.8
[M+Na]+ 243.17193 158.3
[M-H]- 219.17543 158.3
[M+NH4]+ 238.21653 173.5
[M+K]+ 259.14587 155.0
[M+H-H2O]+ 203.17997 147.6
[M+HCOO]- 265.18091 170.8
[M+CH3COO]- 279.19656 187.7
[M+Na-2H]- 241.15738 156.5
[M]+ 220.18216 148.1
[M]- 220.18326 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.