CID 19013988

2-(dimethylamino)benzene-1,4-diol

Structural Information

Molecular Formula
C8H11NO2
SMILES
CN(C)C1=C(C=CC(=C1)O)O
InChI
InChI=1S/C8H11NO2/c1-9(2)7-5-6(10)3-4-8(7)11/h3-5,10-11H,1-2H3
InChIKey
UWUNWZJAUUXNBQ-UHFFFAOYSA-N
Compound name
2-(dimethylamino)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

153.07898 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 129.9
[M+Na]+ 176.068198 138.0
[M-H]- 152.071704 133.0
[M+NH4]+ 171.112803 150.5
[M+K]+ 192.042138 136.9
[M+H-H2O]+ 136.076240 124.6
[M+HCOO]- 198.077181 153.8
[M+CH3COO]- 212.092831 177.7
[M+Na-2H]- 174.053646 135.7
[M]+ 153.07843142 129.8
[M]- 153.07952858 129.8
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