CID 29023

5-aminohexanenitrile

Structural Information

Molecular Formula

C₆H₁₂N₂

SMILES

CC(CCCC#N)N

InChI

InChI=1S/C6H12N2/c1-6(8)4-2-3-5-7/h6H,2-4,8H2,1H3

InChIKey

HTXLVBCGHGHRHL-UHFFFAOYSA-N

Compound name

5-aminohexanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 131
Patents: 112.10005 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]+	113.10733	126.1
[M+Na]+	135.08927	135.2
[M+NH4]+	130.13387	130.8
[M+K]+	151.06321	127.0
[M-H]-	111.09277	119.3
[M+Na-2H]-	133.07472	127.7
[M]+	112.09950	124.4
[M]-	112.10060	124.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe