CID 217125

4-hydroxybenzamidine hydrochloride

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1=CC(=CC=C1C(=N)N)O
InChI
InChI=1S/C7H8N2O/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H3,8,9)
InChIKey
YYXYBWIDIWTCGS-UHFFFAOYSA-N
Compound name
4-hydroxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

627
Patents

136.06366 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 125.9
[M+Na]+ 159.05288 133.0
[M-H]- 135.05638 128.2
[M+NH4]+ 154.09748 146.1
[M+K]+ 175.02682 130.6
[M+H-H2O]+ 119.06092 120.4
[M+HCOO]- 181.06186 150.4
[M+CH3COO]- 195.07751 174.9
[M+Na-2H]- 157.03833 132.2
[M]+ 136.06311 121.1
[M]- 136.06421 121.1
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