CID 55290376

856079-50-0

Structural Information

Molecular Formula
C7H9NO2
SMILES
CC1=C(C=CC(=C1O)N)O
InChI
InChI=1S/C7H9NO2/c1-4-6(9)3-2-5(8)7(4)10/h2-3,9-10H,8H2,1H3
InChIKey
OJIWRZBZQAKZSV-UHFFFAOYSA-N
Compound name
4-amino-2-methylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

218
Patents

139.06332 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 125.9
[M+Na]+ 162.05254 135.3
[M-H]- 138.05604 127.6
[M+NH4]+ 157.09714 146.5
[M+K]+ 178.02648 132.7
[M+H-H2O]+ 122.06058 121.3
[M+HCOO]- 184.06152 149.0
[M+CH3COO]- 198.07717 171.9
[M+Na-2H]- 160.03799 131.3
[M]+ 139.06277 123.6
[M]- 139.06387 123.6
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