CID 11042814

Methyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate hydrochloride

Structural Information

Molecular Formula
C12H17NO4
SMILES
COC1=C(C=C(C=C1)C(CC(=O)OC)N)OC
InChI
InChI=1S/C12H17NO4/c1-15-10-5-4-8(6-11(10)16-2)9(13)7-12(14)17-3/h4-6,9H,7,13H2,1-3H3
InChIKey
DPDHEFCLHFWWJB-UHFFFAOYSA-N
Compound name
methyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

239.11575 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.12303 153.4
[M+Na]+ 262.10497 163.4
[M+NH4]+ 257.14957 159.7
[M+K]+ 278.07891 159.3
[M-H]- 238.10847 154.2
[M+Na-2H]- 260.09042 157.5
[M]+ 239.11520 154.7
[M]- 239.11630 154.7
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