CID 102625

(r)-1-methyl-5-(1-methylvinyl)cyclohexene

Structural Information

Molecular Formula
C10H16
SMILES
CC1=CCCC(C1)C(=C)C
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h5,10H,1,4,6-7H2,2-3H3
InChIKey
JWQKMEKSFPNAIB-UHFFFAOYSA-N
Compound name
1-methyl-5-prop-1-en-2-ylcyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

996
Patents

136.1252 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.132476 129.9
[M+Na]+ 159.114418 135.8
[M-H]- 135.117924 133.2
[M+NH4]+ 154.159023 151.9
[M+K]+ 175.088358 134.2
[M+H-H2O]+ 119.122460 124.9
[M+HCOO]- 181.123401 150.5
[M+CH3COO]- 195.139051 176.3
[M+Na-2H]- 157.099866 133.9
[M]+ 136.12465142 126.4
[M]- 136.12574858 126.4
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.