CID 132342249

2137095-41-9

Structural Information

Molecular Formula
C9H12N2O4
SMILES
C1CN(C[C@H]1O)CC2=NC(=CO2)C(=O)O
InChI
InChI=1S/C9H12N2O4/c12-6-1-2-11(3-6)4-8-10-7(5-15-8)9(13)14/h5-6,12H,1-4H2,(H,13,14)/t6-/m0/s1
InChIKey
ZWMZWYNLQSYMGP-LURJTMIESA-N
Compound name
2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.07971 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08699 145.5
[M+Na]+ 235.06893 153.8
[M+NH4]+ 230.11353 150.9
[M+K]+ 251.04287 155.1
[M-H]- 211.07243 145.6
[M+Na-2H]- 233.05438 147.5
[M]+ 212.07916 146.1
[M]- 212.08026 146.1
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

No patent data available for this compound.