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

92
Patents

145.0375 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.04478 126.4
[M+Na]+ 168.02672 132.8
[M-H]- 144.03022 126.4
[M+NH4]+ 163.07132 143.4
[M+K]+ 184.00066 132.8
[M+H-H2O]+ 128.03476 120.8
[M+HCOO]- 190.03570 143.0
[M+CH3COO]- 204.05135 166.4
[M+Na-2H]- 166.01217 131.8
[M]+ 145.03695 122.1
[M]- 145.03805 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