CID 79095

3-ethylcyclopentene

Structural Information

Molecular Formula
C7H12
SMILES
CCC1CCC=C1
InChI
InChI=1S/C7H12/c1-2-7-5-3-4-6-7/h3,5,7H,2,4,6H2,1H3
InChIKey
HICUGGYRYZOXJI-UHFFFAOYSA-N
Compound name
3-ethylcyclopentene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1545
Patents

96.0939 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.101176 119.2
[M+Na]+ 119.08312 126.3
[M-H]- 95.086624 122.6
[M+NH4]+ 114.12772 144.4
[M+K]+ 135.05706 125.6
[M+H-H2O]+ 79.091160 114.5
[M+HCOO]- 141.09210 143.7
[M+CH3COO]- 155.10775 166.1
[M+Na-2H]- 117.06857 125.3
[M]+ 96.093351 117.6
[M]- 96.094449 117.6
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