CID 736504

(s)-4-benzylmorpholine-2-carboxylic acid

Structural Information

Molecular Formula
C12H15NO3
SMILES
C1CO[C@@H](CN1CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H15NO3/c14-12(15)11-9-13(6-7-16-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)/t11-/m0/s1
InChIKey
UJDWIUOGWSDEFP-NSHDSACASA-N
Compound name
(2S)-4-benzylmorpholine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

266
Patents

221.1052 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 148.9
[M+Na]+ 244.09442 153.7
[M-H]- 220.09792 152.7
[M+NH4]+ 239.13902 163.2
[M+K]+ 260.06836 152.4
[M+H-H2O]+ 204.10246 141.0
[M+HCOO]- 266.10340 165.7
[M+CH3COO]- 280.11905 184.5
[M+Na-2H]- 242.07987 153.5
[M]+ 221.10465 145.6
[M]- 221.10575 145.6
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