CID 56035

90088-72-5

Structural Information

Molecular Formula

C₈H₁₃N₃

SMILES

CC(CC#N)NC(C)CC#N

InChI

InChI=1S/C8H13N3/c1-7(3-5-9)11-8(2)4-6-10/h7-8,11H,3-4H2,1-2H3

InChIKey

XCZJUCJIQIXSBZ-UHFFFAOYSA-N

Compound name

3-(1-cyanopropan-2-ylamino)butanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 151.11095 Da
Monoisotopic Mass: 0.0
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]+	152.11823	162.6
[M+Na]+	174.10017	169.0
[M+NH4]+	169.14477	163.0
[M+K]+	190.07411	159.5
[M-H]-	150.10367	151.7
[M+Na-2H]-	172.08562	160.3
[M]+	151.11040	159.0
[M]-	151.11150	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.