CID 458745

4-amino-2-hydroxy-benzamidine

Structural Information

Molecular Formula
C7H9N3O
SMILES
C1=CC(=C(C=C1N)O)C(=N)N
InChI
InChI=1S/C7H9N3O/c8-4-1-2-5(7(9)10)6(11)3-4/h1-3,11H,8H2,(H3,9,10)
InChIKey
JJFSXSDHFLURBA-UHFFFAOYSA-N
Compound name
4-amino-2-hydroxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

151.07455 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08183 130.0
[M+Na]+ 174.06377 137.2
[M-H]- 150.06727 132.1
[M+NH4]+ 169.10837 149.2
[M+K]+ 190.03771 134.5
[M+H-H2O]+ 134.07181 124.2
[M+HCOO]- 196.07275 154.8
[M+CH3COO]- 210.08840 181.0
[M+Na-2H]- 172.04922 134.7
[M]+ 151.07400 123.9
[M]- 151.07510 123.9
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