CID 1381977

(3s)-3-amino-3-(2-ethoxyphenyl)propanoic acid

Structural Information

Molecular Formula
C11H15NO3
SMILES
CCOC1=CC=CC=C1[C@H](CC(=O)O)N
InChI
InChI=1S/C11H15NO3/c1-2-15-10-6-4-3-5-8(10)9(12)7-11(13)14/h3-6,9H,2,7,12H2,1H3,(H,13,14)/t9-/m0/s1
InChIKey
QCWPOXWUXDQVID-VIFPVBQESA-N
Compound name
(3S)-3-amino-3-(2-ethoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1052 Da
Monoisotopic Mass

-1.6
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.