CID 537567

84213-57-0

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

CC(C)C(=O)NC(C)(C)C#N

InChI

InChI=1S/C8H14N2O/c1-6(2)7(11)10-8(3,4)5-9/h6H,1-4H3,(H,10,11)

InChIKey

JXIVOFHBAAZANY-UHFFFAOYSA-N

Compound name

N-(2-cyanopropan-2-yl)-2-methylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 154.11061 Da
Monoisotopic Mass: 1.0
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]+	155.117886	138.0
[M+Na]+	177.099828	145.6
[M-H]-	153.103334	139.0
[M+NH4]+	172.144433	156.8
[M+K]+	193.073768	145.9
[M+H-H2O]+	137.107870	126.9
[M+HCOO]-	199.108811	155.8
[M+CH3COO]-	213.124461	193.9
[M+Na-2H]-	175.085276	142.0
[M]+	154.11006142	133.0
[M]-	154.11115858	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe