CID 100094450

Rac-(2r,5s)-5-(morpholine-4-carbonyl)oxolane-2-carboxylic acid

Structural Information

Molecular Formula
C10H15NO5
SMILES
C1C[C@H](O[C@H]1C(=O)N2CCOCC2)C(=O)O
InChI
InChI=1S/C10H15NO5/c12-9(11-3-5-15-6-4-11)7-1-2-8(16-7)10(13)14/h7-8H,1-6H2,(H,13,14)/t7-,8+/m1/s1
InChIKey
VGGGLWGQKBUEEY-SFYZADRCSA-N
Compound name
(2S,5R)-5-(morpholine-4-carbonyl)oxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.09502 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.10230 149.9
[M+Na]+ 252.08424 153.4
[M-H]- 228.08774 154.0
[M+NH4]+ 247.12884 164.0
[M+K]+ 268.05818 154.9
[M+H-H2O]+ 212.09228 143.4
[M+HCOO]- 274.09322 163.8
[M+CH3COO]- 288.10887 183.4
[M+Na-2H]- 250.06969 150.9
[M]+ 229.09447 146.0
[M]- 229.09557 146.0
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.