CID 2772970

3,4-diaminophenol dihydrochloride

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1=CC(=C(C=C1O)N)N
InChI
InChI=1S/C6H8N2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H,7-8H2
InChIKey
OVOZYARDXPHRDL-UHFFFAOYSA-N
Compound name
3,4-diaminophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

756
Patents

124.06366 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 122.2
[M+Na]+ 147.05288 130.7
[M-H]- 123.05638 124.5
[M+NH4]+ 142.09748 143.2
[M+K]+ 163.02682 128.3
[M+H-H2O]+ 107.06092 117.0
[M+HCOO]- 169.06186 147.3
[M+CH3COO]- 183.07751 172.5
[M+Na-2H]- 145.03833 128.5
[M]+ 124.06311 117.8
[M]- 124.06421 117.8
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