CID 89010

21678-63-7

Structural Information

Molecular Formula

C₁₁H₁₃N₃O

SMILES

CC(=O)NC1=CC=CC(=C1)NCCC#N

InChI

InChI=1S/C11H13N3O/c1-9(15)14-11-5-2-4-10(8-11)13-7-3-6-12/h2,4-5,8,13H,3,7H2,1H3,(H,14,15)

InChIKey

SXAFYCXJRMPQKO-UHFFFAOYSA-N

Compound name

N-[3-(2-cyanoethylamino)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 203.10587 Da
Monoisotopic Mass: 1.3
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]+	204.11315	150.3
[M+Na]+	226.09509	160.1
[M+NH4]+	221.13969	154.3
[M+K]+	242.06903	150.9
[M-H]-	202.09859	145.4
[M+Na-2H]-	224.08054	153.5
[M]+	203.10532	149.2
[M]-	203.10642	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe