CID 95784

N-(1-cyano-1-methylethyl)acetamide

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

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

InChI

InChI=1S/C6H10N2O/c1-5(9)8-6(2,3)4-7/h1-3H3,(H,8,9)

InChIKey

LKIVSDJTIHCTLP-UHFFFAOYSA-N

Compound name

N-(2-cyanopropan-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 126.079315 Da
Monoisotopic Mass: -0.1
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]+	127.086591	129.1
[M+Na]+	149.068533	137.6
[M-H]-	125.072039	130.3
[M+NH4]+	144.113138	149.0
[M+K]+	165.042473	138.0
[M+H-H2O]+	109.076575	118.3
[M+HCOO]-	171.077516	148.4
[M+CH3COO]-	185.093166	187.6
[M+Na-2H]-	147.053981	135.2
[M]+	126.07876642	124.1
[M]-	126.07986358	124.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe