CID 3086271

Benzamide, o-((cyanomethyl)amino)-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.07455 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08183 141.2
[M+Na]+ 198.06377 149.6
[M-H]- 174.06727 143.9
[M+NH4]+ 193.10837 158.3
[M+K]+ 214.03771 147.0
[M+H-H2O]+ 158.07181 128.3
[M+HCOO]- 220.07275 162.5
[M+CH3COO]- 234.08840 196.8
[M+Na-2H]- 196.04922 146.0
[M]+ 175.07400 133.9
[M]- 175.07510 133.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.