CID 5312968

1558-59-4

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

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

InChI

InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1

InChIKey

ABSTXSZPGHDTAF-BYPYZUCNSA-N

Compound name

(4S)-4-aminopentanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1046
Patents: 117.07898 Da
Monoisotopic Mass: -2.7
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]+	118.08626	125.1
[M+Na]+	140.06820	131.3
[M-H]-	116.07170	123.7
[M+NH4]+	135.11280	146.3
[M+K]+	156.04214	131.2
[M+H-H2O]+	100.07624	120.5
[M+HCOO]-	162.07718	146.7
[M+CH3COO]-	176.09283	170.4
[M+Na-2H]-	138.05365	128.6
[M]+	117.07843	123.1
[M]-	117.07953	123.1

Literature stripe

literature stripe

Patent stripe

patents stripe