CID 72789

1048649-86-0

Structural Information

Molecular Formula
C7H8N4O
SMILES
C1=CC(=CC=C1N=NC(=N)N)O
InChI
InChI=1S/C7H8N4O/c8-7(9)11-10-5-1-3-6(12)4-2-5/h1-4,12H,(H3,8,9)
InChIKey
GDFOKRDMGTXXCS-UHFFFAOYSA-N
Compound name
1-(4-hydroxyphenyl)iminoguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

164.06981 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.077086 131.3
[M+Na]+ 187.059028 137.9
[M-H]- 163.062534 136.3
[M+NH4]+ 182.103633 151.0
[M+K]+ 203.032968 136.7
[M+H-H2O]+ 147.067070 124.2
[M+HCOO]- 209.068011 161.0
[M+CH3COO]- 223.083661 188.2
[M+Na-2H]- 185.044476 139.1
[M]+ 164.06926142 127.9
[M]- 164.07035858 127.9
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