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]+ 160.096816 133.7
[M+Na]+ 182.078758 139.5
[M-H]- 158.082264 134.8
[M+NH4]+ 177.123363 151.2
[M+K]+ 198.052698 140.1
[M+H-H2O]+ 142.086800 127.7
[M+HCOO]- 204.087741 150.8
[M+CH3COO]- 218.103391 172.9
[M+Na-2H]- 180.064206 138.5
[M]+ 159.08899142 131.2
[M]- 159.09008858 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.