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 160.1
[M-H]- 238.10847 156.7
[M+NH4]+ 257.14957 170.7
[M+K]+ 278.07891 159.7
[M+H-H2O]+ 222.11301 146.7
[M+HCOO]- 284.11395 176.5
[M+CH3COO]- 298.12960 195.4
[M+Na-2H]- 260.09042 155.4
[M]+ 239.11520 157.1
[M]- 239.11630 157.1
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

patents stripe