CID 55300283

1009120-00-6

Structural Information

Molecular Formula
C5H7NO4
SMILES
C1COC(=O)N[C@@H]1C(=O)O
InChI
InChI=1S/C5H7NO4/c7-4(8)3-1-2-10-5(9)6-3/h3H,1-2H2,(H,6,9)(H,7,8)/t3-/m0/s1
InChIKey
NWPSPESEXGPUGH-VKHMYHEASA-N
Compound name
(4S)-2-oxo-1,3-oxazinane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

145.0375 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.044776 126.4
[M+Na]+ 168.026718 132.8
[M-H]- 144.030224 126.4
[M+NH4]+ 163.071323 143.4
[M+K]+ 184.000658 132.8
[M+H-H2O]+ 128.034760 120.8
[M+HCOO]- 190.035701 143.0
[M+CH3COO]- 204.051351 166.4
[M+Na-2H]- 166.012166 131.8
[M]+ 145.03695142 122.1
[M]- 145.03804858 122.1
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

patents stripe