CID 19108613

2445791-29-5

Structural Information

Molecular Formula

C₇H₁₀N₂O₃

SMILES

C1=C(ON=C1CCC(=O)O)CN

InChI

InChI=1S/C7H10N2O3/c8-4-6-3-5(9-12-6)1-2-7(10)11/h3H,1-2,4,8H2,(H,10,11)

InChIKey

IJLZDSHZAXWWRU-UHFFFAOYSA-N

Compound name

3-[5-(aminomethyl)-1,2-oxazol-3-yl]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 170.06914 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]+	171.07642	134.6
[M+Na]+	193.05836	142.2
[M-H]-	169.06186	136.0
[M+NH4]+	188.10296	152.9
[M+K]+	209.03230	141.8
[M+H-H2O]+	153.06640	128.3
[M+HCOO]-	215.06734	157.0
[M+CH3COO]-	229.08299	176.8
[M+Na-2H]-	191.04381	139.3
[M]+	170.06859	135.2
[M]-	170.06969	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe