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]+ 226.10739 148.7
[M+Na]+ 248.08933 155.8
[M-H]- 224.09283 152.2
[M+NH4]+ 243.13393 166.6
[M+K]+ 264.06327 155.7
[M+H-H2O]+ 208.09737 142.2
[M+HCOO]- 270.09831 172.1
[M+CH3COO]- 284.11396 192.4
[M+Na-2H]- 246.07478 151.2
[M]+ 225.09956 152.1
[M]- 225.10066 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.