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

19
Patents

203.10587 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11315 148.7
[M+Na]+ 226.09509 156.4
[M-H]- 202.09859 151.5
[M+NH4]+ 221.13969 165.1
[M+K]+ 242.06903 153.6
[M+H-H2O]+ 186.10313 135.4
[M+HCOO]- 248.10407 170.0
[M+CH3COO]- 262.11972 202.2
[M+Na-2H]- 224.08054 153.5
[M]+ 203.10532 142.9
[M]- 203.10642 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