CID 10774222

2-methoxy-l-phenylalanine hydrochloride

Structural Information

Molecular Formula
C10H13NO3
SMILES
COC1=CC=CC=C1C[C@@H](C(=O)O)N
InChI
InChI=1S/C10H13NO3/c1-14-9-5-3-2-4-7(9)6-8(11)10(12)13/h2-5,8H,6,11H2,1H3,(H,12,13)/t8-/m0/s1
InChIKey
SEUPQWHWULSGJC-QMMMGPOBSA-N
Compound name
(2S)-2-amino-3-(2-methoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

462
Patents

195.08954 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.096816 142.2
[M+Na]+ 218.078758 148.4
[M-H]- 194.082264 144.1
[M+NH4]+ 213.123363 160.2
[M+K]+ 234.052698 146.9
[M+H-H2O]+ 178.086800 136.1
[M+HCOO]- 240.087741 164.2
[M+CH3COO]- 254.103391 184.2
[M+Na-2H]- 216.064206 145.3
[M]+ 195.08899142 141.5
[M]- 195.09008858 141.5
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