CID 122706227

(2s)-2-amino-5-iminopentanoate

Structural Information

Molecular Formula

C₅H₁₀N₂O₂

SMILES

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

InChI

InChI=1S/C5H10N2O2/c6-3-1-2-4(7)5(8)9/h3-4,6H,1-2,7H2,(H,8,9)/t4-/m0/s1

InChIKey

DIKLYCVDFLTLOP-BYPYZUCNSA-N

Compound name

(2S)-2-amino-5-iminopentanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1
Patents: 130.07423 Da
Monoisotopic Mass: -3.7
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]+	131.081506	127.5
[M+Na]+	153.063448	133.0
[M-H]-	129.066954	125.9
[M+NH4]+	148.108053	147.6
[M+K]+	169.037388	132.3
[M+H-H2O]+	113.071490	122.3
[M+HCOO]-	175.072431	150.3
[M+CH3COO]-	189.088081	174.5
[M+Na-2H]-	151.048896	131.2
[M]+	130.07368142	123.8
[M]-	130.07477858	123.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe