CID 11126541

2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetic acid

Structural Information

Molecular Formula
C6H9NO4
SMILES
C1C(CN(C1=O)CC(=O)O)O
InChI
InChI=1S/C6H9NO4/c8-4-1-5(9)7(2-4)3-6(10)11/h4,8H,1-3H2,(H,10,11)
InChIKey
BMOXYLBGPIDAAN-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

57
Patents

159.05316 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.06044 130.6
[M+Na]+ 182.04238 138.2
[M-H]- 158.04588 130.3
[M+NH4]+ 177.08698 150.5
[M+K]+ 198.01632 137.1
[M+H-H2O]+ 142.05042 125.5
[M+HCOO]- 204.05136 149.8
[M+CH3COO]- 218.06701 170.2
[M+Na-2H]- 180.02783 132.6
[M]+ 159.05261 128.4
[M]- 159.05371 128.4
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