CID 43148214

Methyl 3-amino-2-[(4-hydroxyphenyl)methyl]propanoate hydrochloride

Structural Information

Molecular Formula
C11H15NO3
SMILES
COC(=O)C(CC1=CC=C(C=C1)O)CN
InChI
InChI=1S/C11H15NO3/c1-15-11(14)9(7-12)6-8-2-4-10(13)5-3-8/h2-5,9,13H,6-7,12H2,1H3
InChIKey
MTLUTDBQXYYAFZ-UHFFFAOYSA-N
Compound name
methyl 2-(aminomethyl)-3-(4-hydroxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

209.1052 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 147.1
[M+Na]+ 232.094418 153.0
[M-H]- 208.097924 148.8
[M+NH4]+ 227.139023 164.6
[M+K]+ 248.068358 151.3
[M+H-H2O]+ 192.102460 140.8
[M+HCOO]- 254.103401 168.8
[M+CH3COO]- 268.119051 186.5
[M+Na-2H]- 230.079866 149.7
[M]+ 209.10465142 146.7
[M]- 209.10574858 146.7
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