CID 108436

2-(1-methyl-5-oxopyrrolidin-2-yl)acetic acid

Structural Information

Molecular Formula
C7H11NO3
SMILES
CN1C(CCC1=O)CC(=O)O
InChI
InChI=1S/C7H11NO3/c1-8-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,10,11)
InChIKey
QSTXMZUAMCBUQU-UHFFFAOYSA-N
Compound name
2-(1-methyl-5-oxopyrrolidin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

157.0739 Da
Monoisotopic Mass

-0.6
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

No literature data available for this compound.

Patent stripe

patents stripe