CID 4154856

4-benzylmorpholine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C12H15NO3
SMILES
C1COCC(N1CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H15NO3/c14-12(15)11-9-16-7-6-13(11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)
InChIKey
XZVHBJHXLYHSNN-UHFFFAOYSA-N
Compound name
4-benzylmorpholine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
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

No literature data available for this compound.

Patent stripe

patents stripe