CID 87906

4,4-dimethylcyclopentene

Structural Information

Molecular Formula
C7H12
SMILES
CC1(CC=CC1)C
InChI
InChI=1S/C7H12/c1-7(2)5-3-4-6-7/h3-4H,5-6H2,1-2H3
InChIKey
LKXAUCPURVBMRN-UHFFFAOYSA-N
Compound name
4,4-dimethylcyclopentene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

225
Patents

96.0939 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.101176 118.2
[M+Na]+ 119.083118 126.3
[M-H]- 95.086624 122.1
[M+NH4]+ 114.127723 145.5
[M+K]+ 135.057058 125.7
[M+H-H2O]+ 79.091160 114.4
[M+HCOO]- 141.092101 142.8
[M+CH3COO]- 155.107751 165.6
[M+Na-2H]- 117.068566 125.4
[M]+ 96.09335142 116.9
[M]- 96.09444858 116.9
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