CID 24265090

2-aminomethyl-3-(4-methoxy-phenyl)-propionic acid

Structural Information

Molecular Formula
C11H15NO3
SMILES
COC1=CC=C(C=C1)CC(CN)C(=O)O
InChI
InChI=1S/C11H15NO3/c1-15-10-4-2-8(3-5-10)6-9(7-12)11(13)14/h2-5,9H,6-7,12H2,1H3,(H,13,14)
InChIKey
DFKAWZDMKJDTFC-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3-(4-methoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

209.1052 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 146.8
[M+Na]+ 232.09442 152.6
[M-H]- 208.09792 148.5
[M+NH4]+ 227.13902 164.3
[M+K]+ 248.06836 150.9
[M+H-H2O]+ 192.10246 140.5
[M+HCOO]- 254.10340 168.5
[M+CH3COO]- 268.11905 187.2
[M+Na-2H]- 230.07987 149.4
[M]+ 209.10465 146.5
[M]- 209.10575 146.5
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