CID 135413522

Amidox

Structural Information

Molecular Formula
C7H8N2O3
SMILES
C1=CC(=C(C=C1/C(=N/O)/N)O)O
InChI
InChI=1S/C7H8N2O3/c8-7(9-12)4-1-2-5(10)6(11)3-4/h1-3,10-12H,(H2,8,9)
InChIKey
JOAASNKBYBFGDN-UHFFFAOYSA-N
Compound name
N',3,4-trihydroxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

6
Patents

168.0535 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 132.2
[M+Na]+ 191.04272 139.7
[M-H]- 167.04622 133.5
[M+NH4]+ 186.08732 150.6
[M+K]+ 207.01666 137.5
[M+H-H2O]+ 151.05076 126.6
[M+HCOO]- 213.05170 155.6
[M+CH3COO]- 227.06735 177.6
[M+Na-2H]- 189.02817 137.2
[M]+ 168.05295 128.7
[M]- 168.05405 128.7
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

patents stripe