CID 3467239

Ns00016109

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

CNC(=O)C(=CN(C)C)C#N

InChI

InChI=1S/C7H11N3O/c1-9-7(11)6(4-8)5-10(2)3/h5H,1-3H3,(H,9,11)

InChIKey

JONZGHCELDAFSQ-UHFFFAOYSA-N

Compound name

2-cyano-3-(dimethylamino)-N-methylprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 153.09021 Da
Monoisotopic Mass: -0.2
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]+	154.097486	136.4
[M+Na]+	176.079428	143.5
[M-H]-	152.082934	138.3
[M+NH4]+	171.124033	155.2
[M+K]+	192.053368	144.4
[M+H-H2O]+	136.087470	124.2
[M+HCOO]-	198.088411	157.2
[M+CH3COO]-	212.104061	197.1
[M+Na-2H]-	174.064876	139.7
[M]+	153.08966142	131.1
[M]-	153.09075858	131.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.