CID 208880

58577-08-5

Structural Information

Molecular Formula

C₆H₁₂N₂

SMILES

CCCC(C)(C#N)N

InChI

InChI=1S/C6H12N2/c1-3-4-6(2,8)5-7/h3-4,8H2,1-2H3

InChIKey

GAVGQLYTJJGLTH-UHFFFAOYSA-N

Compound name

2-amino-2-methylpentanenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 76
Patents: 112.10005 Da
Monoisotopic Mass: 0.5
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]+	113.10733	126.3
[M+Na]+	135.08927	134.8
[M-H]-	111.09277	127.0
[M+NH4]+	130.13387	146.6
[M+K]+	151.06321	134.6
[M+H-H2O]+	95.097310	115.7
[M+HCOO]-	157.09825	145.6
[M+CH3COO]-	171.11390	186.0
[M+Na-2H]-	133.07472	132.7
[M]+	112.09950	120.4
[M]-	112.10060	120.4

Literature stripe

literature stripe

Patent stripe

patents stripe