CID 14263

3-methylcyclopentene

Structural Information

Molecular Formula
C6H10
SMILES
CC1CCC=C1
InChI
InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3
InChIKey
CXOZQHPXKPDQGT-UHFFFAOYSA-N
Compound name
3-methylcyclopentene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7202
Patents

82.07825 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 83.085526 114.5
[M+Na]+ 105.06747 122.0
[M-H]- 81.070974 118.1
[M+NH4]+ 100.11207 140.2
[M+K]+ 121.04141 121.6
[M+H-H2O]+ 65.075510 109.9
[M+HCOO]- 127.07645 139.3
[M+CH3COO]- 141.09210 163.0
[M+Na-2H]- 103.05292 121.1
[M]+ 82.077701 112.5
[M]- 82.078799 112.5
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