CID 458980

4-nitrosalicylamidine, hydrochloride

Structural Information

Molecular Formula
C7H7N3O3
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])O)C(=N)N
InChI
InChI=1S/C7H7N3O3/c8-7(9)5-2-1-4(10(12)13)3-6(5)11/h1-3,11H,(H3,8,9)
InChIKey
ILXKTPZAADYHDV-UHFFFAOYSA-N
Compound name
2-hydroxy-4-nitrobenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

181.04874 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.05602 131.8
[M+Na]+ 204.03796 138.4
[M-H]- 180.04146 134.2
[M+NH4]+ 199.08256 149.3
[M+K]+ 220.01190 132.2
[M+H-H2O]+ 164.04600 130.4
[M+HCOO]- 226.04694 157.4
[M+CH3COO]- 240.06259 176.9
[M+Na-2H]- 202.02341 138.5
[M]+ 181.04819 126.2
[M]- 181.04929 126.2
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