CID 13362585

2-[(2-methylpropyl)amino]acetonitrile

Structural Information

Molecular Formula

C₆H₁₂N₂

SMILES

CC(C)CNCC#N

InChI

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

InChIKey

DAYCWCMZFOMJDW-UHFFFAOYSA-N

Compound name

2-(2-methylpropylamino)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 112.10005 Da
Monoisotopic Mass: 0.9
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]+	113.107326	123.7
[M+Na]+	135.089268	131.6
[M-H]-	111.092774	124.6
[M+NH4]+	130.133873	144.1
[M+K]+	151.063208	131.7
[M+H-H2O]+	95.097310	112.5
[M+HCOO]-	157.098251	144.0
[M+CH3COO]-	171.113901	187.1
[M+Na-2H]-	133.074716	129.7
[M]+	112.09950142	118.7
[M]-	112.10059858	118.7

Literature stripe

literature stripe

Patent stripe

patents stripe