CID 189689

119737-52-9

Structural Information

Molecular Formula
C9H12N2O4
SMILES
CC1=NOC(=C1)C(=O)NCCCC(=O)O
InChI
InChI=1S/C9H12N2O4/c1-6-5-7(15-11-6)9(14)10-4-2-3-8(12)13/h5H,2-4H2,1H3,(H,10,14)(H,12,13)
InChIKey
QVLJRVUEXTYYQK-UHFFFAOYSA-N
Compound name
4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

212.07971 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08699 145.8
[M+Na]+ 235.06893 152.5
[M-H]- 211.07243 147.5
[M+NH4]+ 230.11353 162.5
[M+K]+ 251.04287 152.5
[M+H-H2O]+ 195.07697 139.1
[M+HCOO]- 257.07791 167.6
[M+CH3COO]- 271.09356 185.1
[M+Na-2H]- 233.05438 149.3
[M]+ 212.07916 148.1
[M]- 212.08026 148.1
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

patents stripe