CID 456727

Benzamidocyanamide

Structural Information

Molecular Formula
C8H7N3O
SMILES
C1=CC=C(C=C1)C(=O)NNC#N
InChI
InChI=1S/C8H7N3O/c9-6-10-11-8(12)7-4-2-1-3-5-7/h1-5,10H,(H,11,12)
InChIKey
XTTDASCPLQXUJJ-UHFFFAOYSA-N
Compound name
benzamidocyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

161.05891 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06619 136.9
[M+Na]+ 184.04813 144.9
[M-H]- 160.05163 139.8
[M+NH4]+ 179.09273 154.5
[M+K]+ 200.02207 142.7
[M+H-H2O]+ 144.05617 123.9
[M+HCOO]- 206.05711 159.0
[M+CH3COO]- 220.07276 193.0
[M+Na-2H]- 182.03358 143.8
[M]+ 161.05836 129.8
[M]- 161.05946 129.8
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

No patent data available for this compound.