CID 439401

Chebi:57879

Structural Information

Molecular Formula

C₆H₁₀N₂O₃

SMILES

C=C(C[C@@H](C(=O)O)N)C(=O)N

InChI

InChI=1S/C6H10N2O3/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H2,8,9)(H,10,11)/t4-/m0/s1

InChIKey

CEVQXWMPODOBRM-BYPYZUCNSA-N

Compound name

(2S)-2-amino-4-carbamoylpent-4-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 61
Patents: 158.06914 Da
Monoisotopic Mass: -3.6
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]+	159.07642	134.7
[M+Na]+	181.05836	139.7
[M+NH4]+	176.10296	139.2
[M+K]+	197.03230	139.0
[M-H]-	157.06186	131.5
[M+Na-2H]-	179.04381	134.2
[M]+	158.06859	133.6
[M]-	158.06969	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe