CID 735795

2-cyano-n-(propan-2-yl)acetamide

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

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

InChI

InChI=1S/C6H10N2O/c1-5(2)8-6(9)3-4-7/h5H,3H2,1-2H3,(H,8,9)

InChIKey

LOAHXFVORLJMML-UHFFFAOYSA-N

Compound name

2-cyano-N-propan-2-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 122
Patents: 126.079315 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]+	127.086591	127.5
[M+Na]+	149.068533	135.5
[M-H]-	125.072039	128.4
[M+NH4]+	144.113138	147.2
[M+K]+	165.042473	135.8
[M+H-H2O]+	109.076575	116.1
[M+HCOO]-	171.077516	147.3
[M+CH3COO]-	185.093166	188.2
[M+Na-2H]-	147.053981	132.1
[M]+	126.07876642	122.4
[M]-	126.07986358	122.4

Literature stripe

literature stripe

Patent stripe

patents stripe