CID 101296

4-amino-2-methoxyphenol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1026
Patents

139.06332 Da
Monoisotopic Mass

0.1
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

literature stripe

Patent stripe

patents stripe