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]+ 162.066186 136.9
[M+Na]+ 184.048128 144.9
[M-H]- 160.051634 139.8
[M+NH4]+ 179.092733 154.5
[M+K]+ 200.022068 142.7
[M+H-H2O]+ 144.056170 123.9
[M+HCOO]- 206.057111 159.0
[M+CH3COO]- 220.072761 193.0
[M+Na-2H]- 182.033576 143.8
[M]+ 161.05836142 129.8
[M]- 161.05945858 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

patents stripe