CID 13945164

91280-29-4

Structural Information

Molecular Formula
C11H15NO3
SMILES
CN[C@@H](CC1=CC=C(C=C1)O)C(=O)OC
InChI
InChI=1S/C11H15NO3/c1-12-10(11(14)15-2)7-8-3-5-9(13)6-4-8/h3-6,10,12-13H,7H2,1-2H3/t10-/m0/s1
InChIKey
LLGVQUKFXIDBNH-JTQLQIEISA-N
Compound name
methyl (2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

209.1052 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 146.5
[M+Na]+ 232.094418 152.3
[M-H]- 208.097924 148.7
[M+NH4]+ 227.139023 164.3
[M+K]+ 248.068358 151.0
[M+H-H2O]+ 192.102460 140.2
[M+HCOO]- 254.103401 168.8
[M+CH3COO]- 268.119051 187.1
[M+Na-2H]- 230.079866 150.2
[M]+ 209.10465142 147.1
[M]- 209.10574858 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe