CID 136494

3-(isopropylamino)propanenitrile

Structural Information

Molecular Formula

C₆H₁₂N₂

SMILES

CC(C)NCCC#N

InChI

InChI=1S/C6H12N2/c1-6(2)8-5-3-4-7/h6,8H,3,5H2,1-2H3

InChIKey

XBAXAJAODIQLCI-UHFFFAOYSA-N

Compound name

3-(propan-2-ylamino)propanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 123
Patents: 112.10005 Da
Monoisotopic Mass: 0.3
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	126.0
[M+Na]+	135.08927	135.3
[M+NH4]+	130.13387	130.8
[M+K]+	151.06321	127.0
[M-H]-	111.09277	119.4
[M+Na-2H]-	133.07472	128.0
[M]+	112.09950	124.4
[M]-	112.10060	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe