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

465
Patents

139.06332 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 125.4
[M+Na]+ 162.052538 134.2
[M-H]- 138.056044 128.1
[M+NH4]+ 157.097143 146.4
[M+K]+ 178.026478 132.6
[M+H-H2O]+ 122.060580 120.3
[M+HCOO]- 184.061521 150.0
[M+CH3COO]- 198.077171 173.1
[M+Na-2H]- 160.037986 132.0
[M]+ 139.06277142 124.6
[M]- 139.06386858 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