CID 69829

1,2-dimethylcyclopentene

Structural Information

Molecular Formula
C7H12
SMILES
CC1=C(CCC1)C
InChI
InChI=1S/C7H12/c1-6-4-3-5-7(6)2/h3-5H2,1-2H3
InChIKey
SZZWLAZADBEDQP-UHFFFAOYSA-N
Compound name
1,2-dimethylcyclopentene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2623
Patents

96.0939 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.101176 118.2
[M+Na]+ 119.08312 126.4
[M-H]- 95.086624 122.1
[M+NH4]+ 114.12772 143.8
[M+K]+ 135.05706 125.6
[M+H-H2O]+ 79.091160 113.9
[M+HCOO]- 141.09210 142.7
[M+CH3COO]- 155.10775 167.1
[M+Na-2H]- 117.06857 123.7
[M]+ 96.093351 117.0
[M]- 96.094449 117.0
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