CID 3018702

2-(2-oxopyrrolidin-1-yl)propanoic acid

Structural Information

Molecular Formula
C7H11NO3
SMILES
CC(C(=O)O)N1CCCC1=O
InChI
InChI=1S/C7H11NO3/c1-5(7(10)11)8-4-2-3-6(8)9/h5H,2-4H2,1H3,(H,10,11)
InChIKey
SDWWBSPLLLYOJH-UHFFFAOYSA-N
Compound name
2-(2-oxopyrrolidin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

81
Patents

157.0739 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 132.7
[M+Na]+ 180.06312 139.2
[M-H]- 156.06662 133.4
[M+NH4]+ 175.10772 153.1
[M+K]+ 196.03706 138.7
[M+H-H2O]+ 140.07116 127.1
[M+HCOO]- 202.07210 151.9
[M+CH3COO]- 216.08775 173.3
[M+Na-2H]- 178.04857 134.0
[M]+ 157.07335 130.3
[M]- 157.07445 130.3
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