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

57
Patents

153.07898 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 131.1
[M+Na]+ 176.06820 139.2
[M-H]- 152.07170 133.4
[M+NH4]+ 171.11280 152.8
[M+K]+ 192.04214 137.8
[M+H-H2O]+ 136.07624 125.7
[M+HCOO]- 198.07718 152.5
[M+CH3COO]- 212.09283 176.3
[M+Na-2H]- 174.05365 133.0
[M]+ 153.07843 129.9
[M]- 153.07953 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