CID 99932288

2639379-06-7

Structural Information

Molecular Formula
C7H13NO3
SMILES
C[C@@H]1COC[C@@H](N1)C(=O)OC
InChI
InChI=1S/C7H13NO3/c1-5-3-11-4-6(8-5)7(9)10-2/h5-6,8H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKey
NHYJYJBPEBTTMP-PHDIDXHHSA-N
Compound name
methyl (3R,5R)-5-methylmorpholine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.08954 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 133.7
[M+Na]+ 182.07876 139.5
[M-H]- 158.08226 134.8
[M+NH4]+ 177.12336 151.2
[M+K]+ 198.05270 140.1
[M+H-H2O]+ 142.08680 127.7
[M+HCOO]- 204.08774 150.8
[M+CH3COO]- 218.10339 172.9
[M+Na-2H]- 180.06421 138.5
[M]+ 159.08899 131.2
[M]- 159.09009 131.2
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.