CID 3017497

2-aminobenzene-1,4-diol

Structural Information

Molecular Formula
C6H7NO2
SMILES
C1=CC(=C(C=C1O)N)O
InChI
InChI=1S/C6H7NO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H,7H2
InChIKey
SBXKRBZKPQBLOD-UHFFFAOYSA-N
Compound name
2-aminobenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

814
Patents

125.047676 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.05495 121.4
[M+Na]+ 148.03689 133.1
[M+NH4]+ 143.08150 129.6
[M+K]+ 164.01083 128.4
[M-H]- 124.04040 123.0
[M+Na-2H]- 146.02234 127.6
[M]+ 125.04713 123.3
[M]- 125.04822 123.3
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