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

978
Patents

136.1252 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.13248 129.9
[M+Na]+ 159.11442 135.8
[M-H]- 135.11792 133.2
[M+NH4]+ 154.15902 151.9
[M+K]+ 175.08836 134.2
[M+H-H2O]+ 119.12246 124.9
[M+HCOO]- 181.12340 150.5
[M+CH3COO]- 195.13905 176.3
[M+Na-2H]- 157.09987 133.9
[M]+ 136.12465 126.4
[M]- 136.12575 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

literature stripe

Patent stripe

patents stripe