CID 351259

2-propenoic acid, 3-(2-oxo-1-pyrrolidinyl)-, methyl ester, (2e)-

Structural Information

Molecular Formula
C8H11NO3
SMILES
COC(=O)C=CN1CCCC1=O
InChI
InChI=1S/C8H11NO3/c1-12-8(11)4-6-9-5-2-3-7(9)10/h4,6H,2-3,5H2,1H3
InChIKey
NRLWJEXUEIMMPF-UHFFFAOYSA-N
Compound name
methyl 3-(2-oxopyrrolidin-1-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

169.0739 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.08118 137.7
[M+Na]+ 192.06312 146.4
[M+NH4]+ 187.10772 144.1
[M+K]+ 208.03706 143.7
[M-H]- 168.06662 136.4
[M+Na-2H]- 190.04857 140.0
[M]+ 169.07335 138.0
[M]- 169.07445 138.0
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