CID 69451

(2,6-dihydroxyphenyl)azanium;chloride

Structural Information

Molecular Formula
C6H7NO2
SMILES
C1=CC(=C(C(=C1)O)N)O
InChI
InChI=1S/C6H7NO2/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H,7H2
InChIKey
JEPCLNGRAIMPQV-UHFFFAOYSA-N
Compound name
2-aminobenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

1550
Patents

125.047676 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.05495 121.5
[M+Na]+ 148.03689 130.4
[M-H]- 124.04040 122.9
[M+NH4]+ 143.08150 142.3
[M+K]+ 164.01083 128.0
[M+H-H2O]+ 108.04494 116.8
[M+HCOO]- 170.04588 144.9
[M+CH3COO]- 184.06153 167.6
[M+Na-2H]- 146.02234 128.1
[M]+ 125.04713 118.5
[M]- 125.04822 118.5
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