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

791
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.