CID 12119980

3-acetyl-1-ethenylpyrrolidin-2-one

Structural Information

Molecular Formula
C8H11NO2
SMILES
CC(=O)C1CCN(C1=O)C=C
InChI
InChI=1S/C8H11NO2/c1-3-9-5-4-7(6(2)10)8(9)11/h3,7H,1,4-5H2,2H3
InChIKey
LHPVGCKCIBTAKD-UHFFFAOYSA-N
Compound name
3-acetyl-1-ethenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

153.07898 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 131.1
[M+Na]+ 176.068198 139.2
[M-H]- 152.071704 133.4
[M+NH4]+ 171.112803 152.8
[M+K]+ 192.042138 137.8
[M+H-H2O]+ 136.076240 125.7
[M+HCOO]- 198.077181 152.5
[M+CH3COO]- 212.092831 176.3
[M+Na-2H]- 174.053646 133.0
[M]+ 153.07843142 129.9
[M]- 153.07952858 129.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe