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: 30
Patents: 212.07971 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	213.08699	146.6
[M+Na]+	235.06893	154.6
[M+NH4]+	230.11353	151.5
[M+K]+	251.04287	153.9
[M-H]-	211.07243	146.2
[M+Na-2H]-	233.05438	148.4
[M]+	212.07916	147.0
[M]-	212.08026	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe