CID 54371871

Sodium 2-[(5-oxopyrrolidin-3-yl)amino]acetate

Structural Information

Molecular Formula
C6H10N2O3
SMILES
C1C(CNC1=O)NCC(=O)O
InChI
InChI=1S/C6H10N2O3/c9-5-1-4(2-8-5)7-3-6(10)11/h4,7H,1-3H2,(H,8,9)(H,10,11)
InChIKey
UTTREVXNOTZAKF-UHFFFAOYSA-N
Compound name
2-[(5-oxopyrrolidin-3-yl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

158.06914 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.07642 132.2
[M+Na]+ 181.05836 137.9
[M-H]- 157.06186 131.4
[M+NH4]+ 176.10296 151.4
[M+K]+ 197.03230 136.3
[M+H-H2O]+ 141.06640 126.2
[M+HCOO]- 203.06734 152.2
[M+CH3COO]- 217.08299 171.9
[M+Na-2H]- 179.04381 135.1
[M]+ 158.06859 127.3
[M]- 158.06969 127.3
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