CID 7010353

19653-78-2

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

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

InChI

InChI=1S/C6H13NO2/c1-3-4-5(7-2)6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1

InChIKey

HCPKYUNZBPVCHC-YFKPBYRVSA-N

Compound name

(2S)-2-(methylamino)pentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2477
Patents: 131.09464 Da
Monoisotopic Mass: -1.6
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]+	132.10192	128.6
[M+Na]+	154.08386	136.7
[M+NH4]+	149.12846	135.4
[M+K]+	170.05780	133.1
[M-H]-	130.08736	127.2
[M+Na-2H]-	152.06931	131.0
[M]+	131.09409	128.9
[M]-	131.09519	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe