CID 69640

687-51-4

Structural Information

Molecular Formula

C₆H₁₄N₂O

SMILES

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

InChI

InChI=1S/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)/t5-/m0/s1

InChIKey

FORGMRSGVSYZQR-YFKPBYRVSA-N

Compound name

(2S)-2-amino-4-methylpentanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 43
References: 3481
Patents: 130.11061 Da
Monoisotopic Mass: 0.1
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]+	131.11789	131.2
[M+Na]+	153.09983	136.3
[M-H]-	129.10333	130.6
[M+NH4]+	148.14443	152.0
[M+K]+	169.07377	136.6
[M+H-H2O]+	113.10787	126.0
[M+HCOO]-	175.10881	153.2
[M+CH3COO]-	189.12446	179.3
[M+Na-2H]-	151.08528	132.5
[M]+	130.11006	127.5
[M]-	130.11116	127.5

Literature stripe

literature stripe

Patent stripe

patents stripe