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 142.4
[M+Na]+ 198.06377 152.3
[M+NH4]+ 193.10837 146.5
[M+K]+ 214.03771 143.7
[M-H]- 174.06727 137.4
[M+Na-2H]- 196.04922 145.7
[M]+ 175.07400 141.3
[M]- 175.07510 141.3
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