CID 89010

Acetamide, n-(3-((2-cyanoethyl)amino)phenyl)-

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

26
Patents

203.10587 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.113146 148.7
[M+Na]+ 226.095088 156.4
[M-H]- 202.098594 151.5
[M+NH4]+ 221.139693 165.1
[M+K]+ 242.069028 153.6
[M+H-H2O]+ 186.103130 135.4
[M+HCOO]- 248.104071 170.0
[M+CH3COO]- 262.119721 202.2
[M+Na-2H]- 224.080536 153.5
[M]+ 203.10532142 142.9
[M]- 203.10641858 142.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe