CID 21328277

1094300-17-0

Structural Information

Molecular Formula
C8H9N3O2
SMILES
C1=CC(=CC=C1/C(=N/O)/N)C(=O)N
InChI
InChI=1S/C8H9N3O2/c9-7(11-13)5-1-3-6(4-2-5)8(10)12/h1-4,13H,(H2,9,11)(H2,10,12)
InChIKey
AZTOWTOBHDLODP-UHFFFAOYSA-N
Compound name
4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

179.06947 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.076746 136.6
[M+Na]+ 202.058688 142.8
[M-H]- 178.062194 139.6
[M+NH4]+ 197.103293 154.9
[M+K]+ 218.032628 141.2
[M+H-H2O]+ 162.066730 129.9
[M+HCOO]- 224.067671 162.1
[M+CH3COO]- 238.083321 186.8
[M+Na-2H]- 200.044136 140.8
[M]+ 179.06892142 132.3
[M]- 179.07001858 132.3
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