CID 2752649

2-ethylcyclopent-2-en-1-one

Structural Information

Molecular Formula
C7H10O
SMILES
CCC1=CCCC1=O
InChI
InChI=1S/C7H10O/c1-2-6-4-3-5-7(6)8/h4H,2-3,5H2,1H3
InChIKey
GKDBCXCOTZXACW-UHFFFAOYSA-N
Compound name
2-ethylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

110.073166 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 120.3
[M+Na]+ 133.06238 128.7
[M-H]- 109.06589 124.1
[M+NH4]+ 128.10699 145.1
[M+K]+ 149.03632 127.7
[M+H-H2O]+ 93.070426 115.8
[M+HCOO]- 155.07137 145.2
[M+CH3COO]- 169.08702 168.1
[M+Na-2H]- 131.04783 125.7
[M]+ 110.07262 119.8
[M]- 110.07371 119.8
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