CID 2774168

N-(4-amino-2-cyanophenyl)acetamide

Structural Information

Molecular Formula
C9H9N3O
SMILES
CC(=O)NC1=C(C=C(C=C1)N)C#N
InChI
InChI=1S/C9H9N3O/c1-6(13)12-9-3-2-8(11)4-7(9)5-10/h2-4H,11H2,1H3,(H,12,13)
InChIKey
IOWFDWDHFCFPPD-UHFFFAOYSA-N
Compound name
N-(4-amino-2-cyanophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

175.07455 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08183 141.6
[M+Na]+ 198.06377 150.9
[M-H]- 174.06727 144.7
[M+NH4]+ 193.10837 159.1
[M+K]+ 214.03771 148.5
[M+H-H2O]+ 158.07181 129.0
[M+HCOO]- 220.07275 162.9
[M+CH3COO]- 234.08840 197.3
[M+Na-2H]- 196.04922 145.7
[M]+ 175.07400 134.6
[M]- 175.07510 134.6
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