CID 60795820

Methyl 2-amino-2-(2,4-dimethoxyphenyl)acetate hydrochloride

Structural Information

Molecular Formula
C11H15NO4
SMILES
COC1=CC(=C(C=C1)C(C(=O)OC)N)OC
InChI
InChI=1S/C11H15NO4/c1-14-7-4-5-8(9(6-7)15-2)10(12)11(13)16-3/h4-6,10H,12H2,1-3H3
InChIKey
YGIBRNUUKOXIKP-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(2,4-dimethoxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.10011 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.107386 148.7
[M+Na]+ 248.089328 155.8
[M-H]- 224.092834 152.2
[M+NH4]+ 243.133933 166.6
[M+K]+ 264.063268 155.7
[M+H-H2O]+ 208.097370 142.2
[M+HCOO]- 270.098311 172.1
[M+CH3COO]- 284.113961 192.4
[M+Na-2H]- 246.074776 151.2
[M]+ 225.09956142 152.1
[M]- 225.10065858 152.1
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

No patent data available for this compound.