CID 17866146

2-(1-methyl-2-oxopyrrolidin-3-yl)acetic acid

Structural Information

Molecular Formula
C7H11NO3
SMILES
CN1CCC(C1=O)CC(=O)O
InChI
InChI=1S/C7H11NO3/c1-8-3-2-5(7(8)11)4-6(9)10/h5H,2-4H2,1H3,(H,9,10)
InChIKey
BSWMFLPHDUMFNS-UHFFFAOYSA-N
Compound name
2-(1-methyl-2-oxopyrrolidin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

157.0739 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 131.7
[M+Na]+ 180.06312 139.4
[M-H]- 156.06662 132.7
[M+NH4]+ 175.10772 152.5
[M+K]+ 196.03706 138.5
[M+H-H2O]+ 140.07116 126.4
[M+HCOO]- 202.07210 152.0
[M+CH3COO]- 216.08775 173.6
[M+Na-2H]- 178.04857 133.7
[M]+ 157.07335 130.4
[M]- 157.07445 130.4
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