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]+ 176.08183 141.6
[M+Na]+ 198.06377 150.1
[M-H]- 174.06727 144.3
[M+NH4]+ 193.10837 158.7
[M+K]+ 214.03771 147.5
[M+H-H2O]+ 158.07181 128.7
[M+HCOO]- 220.07275 162.9
[M+CH3COO]- 234.08840 196.2
[M+Na-2H]- 196.04922 146.3
[M]+ 175.07400 134.2
[M]- 175.07510 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