CID 14299

1-methyl-4-(1-methylethenyl)cyclohexane

Structural Information

Molecular Formula
C10H18
SMILES
CC1CCC(CC1)C(=C)C
InChI
InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h9-10H,1,4-7H2,2-3H3
InChIKey
WPMKLOWQWIDOJN-UHFFFAOYSA-N
Compound name
1-methyl-4-prop-1-en-2-ylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

516
Patents

138.14085 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.148126 132.1
[M+Na]+ 161.130068 136.9
[M-H]- 137.133574 135.0
[M+NH4]+ 156.174673 153.9
[M+K]+ 177.104008 135.5
[M+H-H2O]+ 121.138110 127.1
[M+HCOO]- 183.139051 151.1
[M+CH3COO]- 197.154701 176.6
[M+Na-2H]- 159.115516 135.0
[M]+ 138.14030142 127.1
[M]- 138.14139858 127.1
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.