CID 12072

2-methyl-5-(1-methylethenyl)cyclohexanol

Structural Information

Molecular Formula
C10H18O
SMILES
CC1CCC(CC1O)C(=C)C
InChI
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3
InChIKey
KRCZYMFUWVJCLI-UHFFFAOYSA-N
Compound name
2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

18
References

3067
Patents

154.13577 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 135.5
[M+Na]+ 177.124988 140.9
[M-H]- 153.128494 137.3
[M+NH4]+ 172.169593 156.2
[M+K]+ 193.098928 139.0
[M+H-H2O]+ 137.133030 130.8
[M+HCOO]- 199.133971 153.3
[M+CH3COO]- 213.149621 177.1
[M+Na-2H]- 175.110436 137.2
[M]+ 154.13522142 130.4
[M]- 154.13631858 130.4
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