CID 1475136

Methyl 2-(3-amino-4-hydroxyphenyl)acetate

Structural Information

Molecular Formula
C9H11NO3
SMILES
COC(=O)CC1=CC(=C(C=C1)O)N
InChI
InChI=1S/C9H11NO3/c1-13-9(12)5-6-2-3-8(11)7(10)4-6/h2-4,11H,5,10H2,1H3
InChIKey
CEPDWEWFQRUWPP-UHFFFAOYSA-N
Compound name
methyl 2-(3-amino-4-hydroxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

128
Patents

181.0739 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.081176 137.0
[M+Na]+ 204.063118 145.0
[M-H]- 180.066624 139.4
[M+NH4]+ 199.107723 156.1
[M+K]+ 220.037058 143.3
[M+H-H2O]+ 164.071160 131.4
[M+HCOO]- 226.072101 160.4
[M+CH3COO]- 240.087751 180.7
[M+Na-2H]- 202.048566 141.3
[M]+ 181.07335142 136.9
[M]- 181.07444858 136.9
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