CID 4121851

210049-09-5

Structural Information

Molecular Formula

C₇H₁₀N₂O₄

SMILES

CC1=C(ONC1=O)CC(C(=O)O)N

InChI

InChI=1S/C7H10N2O4/c1-3-5(13-9-6(3)10)2-4(8)7(11)12/h4H,2,8H2,1H3,(H,9,10)(H,11,12)

InChIKey

QQKCZEULAPHDJP-UHFFFAOYSA-N

Compound name

2-amino-3-(4-methyl-3-oxo-1,2-oxazol-5-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 24
Patents: 186.06406 Da
Monoisotopic Mass: -3.2
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]+	187.07134	138.4
[M+Na]+	209.05328	146.3
[M+NH4]+	204.09788	143.1
[M+K]+	225.02722	146.9
[M-H]-	185.05678	137.4
[M+Na-2H]-	207.03873	139.4
[M]+	186.06351	138.6
[M]-	186.06461	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe