CID 5191522

2-(morpholin-4-yl)-3-phenylpropanoic acid

Structural Information

Molecular Formula
C13H17NO3
SMILES
C1COCCN1C(CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H17NO3/c15-13(16)12(14-6-8-17-9-7-14)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)
InChIKey
BTTLNLDCDUTMQI-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

235.12085 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 153.6
[M+Na]+ 258.11007 156.8
[M-H]- 234.11357 156.9
[M+NH4]+ 253.15467 166.9
[M+K]+ 274.08401 155.7
[M+H-H2O]+ 218.11811 145.4
[M+HCOO]- 280.11905 169.1
[M+CH3COO]- 294.13470 187.2
[M+Na-2H]- 256.09552 157.2
[M]+ 235.12030 149.6
[M]- 235.12140 149.6
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