CID 255865

N-butyl-2-cyanoacetamide

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

CCCCNC(=O)CC#N

InChI

InChI=1S/C7H12N2O/c1-2-3-6-9-7(10)4-5-8/h2-4,6H2,1H3,(H,9,10)

InChIKey

MGZNARROBKPUST-UHFFFAOYSA-N

Compound name

N-butyl-2-cyanoacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 131
Patents: 140.09496 Da
Monoisotopic Mass: 0.7
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]+	141.102236	130.0
[M+Na]+	163.084178	137.8
[M-H]-	139.087684	130.6
[M+NH4]+	158.128783	149.2
[M+K]+	179.058118	137.5
[M+H-H2O]+	123.092220	118.4
[M+HCOO]-	185.093161	150.4
[M+CH3COO]-	199.108811	190.1
[M+Na-2H]-	161.069626	135.4
[M]+	140.09441142	125.8
[M]-	140.09550858	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe