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 144.1
[M+Na]+ 235.06893 151.1
[M-H]- 211.07243 146.5
[M+NH4]+ 230.11353 160.7
[M+K]+ 251.04287 150.5
[M+H-H2O]+ 195.07697 137.5
[M+HCOO]- 257.07791 162.2
[M+CH3COO]- 271.09356 179.0
[M+Na-2H]- 233.05438 145.1
[M]+ 212.07916 143.2
[M]- 212.08026 143.2
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.