CID 22690434

1403958-54-2

Structural Information

Molecular Formula
C9H9N3O
SMILES
C1=CC(=CC(=C1)NC(=O)CN)C#N
InChI
InChI=1S/C9H9N3O/c10-5-7-2-1-3-8(4-7)12-9(13)6-11/h1-4H,6,11H2,(H,12,13)
InChIKey
NGPKYKWYQDVVGZ-UHFFFAOYSA-N
Compound name
2-amino-N-(3-cyanophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

175.07455 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.081826 141.6
[M+Na]+ 198.063768 150.1
[M-H]- 174.067274 144.3
[M+NH4]+ 193.108373 158.7
[M+K]+ 214.037708 147.5
[M+H-H2O]+ 158.071810 128.7
[M+HCOO]- 220.072751 162.9
[M+CH3COO]- 234.088401 196.2
[M+Na-2H]- 196.049216 146.3
[M]+ 175.07400142 134.2
[M]- 175.07509858 134.2
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