CID 20341841

3-amino-4-methoxyphenol hydrochloride

Structural Information

Molecular Formula
C7H9NO2
SMILES
COC1=C(C=C(C=C1)O)N
InChI
InChI=1S/C7H9NO2/c1-10-7-3-2-5(9)4-6(7)8/h2-4,9H,8H2,1H3
InChIKey
HEAHXMOKYXTEID-UHFFFAOYSA-N
Compound name
3-amino-4-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

405
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 125.4
[M+Na]+ 162.05254 134.2
[M-H]- 138.05604 128.1
[M+NH4]+ 157.09714 146.4
[M+K]+ 178.02648 132.6
[M+H-H2O]+ 122.06058 120.3
[M+HCOO]- 184.06152 150.0
[M+CH3COO]- 198.07717 173.1
[M+Na-2H]- 160.03799 132.0
[M]+ 139.06277 124.6
[M]- 139.06387 124.6
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