CID 83636543

1516529-24-0

Structural Information

Molecular Formula
C8H13NO4
SMILES
CC(C)N1C(COCC1=O)C(=O)O
InChI
InChI=1S/C8H13NO4/c1-5(2)9-6(8(11)12)3-13-4-7(9)10/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKey
HZEXMNWJXBRPGC-UHFFFAOYSA-N
Compound name
5-oxo-4-propan-2-ylmorpholine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.08446 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.091736 138.7
[M+Na]+ 210.073678 144.9
[M-H]- 186.077184 140.0
[M+NH4]+ 205.118283 155.0
[M+K]+ 226.047618 145.6
[M+H-H2O]+ 170.081720 132.7
[M+HCOO]- 232.082661 154.8
[M+CH3COO]- 246.098311 180.2
[M+Na-2H]- 208.059126 141.2
[M]+ 187.08391142 137.1
[M]- 187.08500858 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.