CID 101373

4-morpholinepropanoic acid, methyl ester

Structural Information

Molecular Formula
C8H15NO3
SMILES
COC(=O)CCN1CCOCC1
InChI
InChI=1S/C8H15NO3/c1-11-8(10)2-3-9-4-6-12-7-5-9/h2-7H2,1H3
InChIKey
YMSLLIGKMYXCPK-UHFFFAOYSA-N
Compound name
methyl 3-morpholin-4-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

879
Patents

173.1052 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 137.9
[M+Na]+ 196.09442 142.6
[M-H]- 172.09792 139.7
[M+NH4]+ 191.13902 155.1
[M+K]+ 212.06836 143.9
[M+H-H2O]+ 156.10246 131.1
[M+HCOO]- 218.10340 156.1
[M+CH3COO]- 232.11905 177.4
[M+Na-2H]- 194.07987 143.3
[M]+ 173.10465 137.1
[M]- 173.10575 137.1
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