CID 3082452

36839-07-3

Structural Information

Molecular Formula
C4H7NO3
SMILES
C1CNOC1C(=O)O
InChI
InChI=1S/C4H7NO3/c6-4(7)3-1-2-5-8-3/h3,5H,1-2H2,(H,6,7)
InChIKey
AHKFLJODSRVDLO-UHFFFAOYSA-N
Compound name
1,2-oxazolidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

4
Patents

117.042595 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.049871 121.2
[M+Na]+ 140.031813 127.6
[M-H]- 116.035319 121.0
[M+NH4]+ 135.076418 141.0
[M+K]+ 156.005753 127.9
[M+H-H2O]+ 100.039855 115.9
[M+HCOO]- 162.040796 139.7
[M+CH3COO]- 176.056446 160.4
[M+Na-2H]- 138.017261 126.3
[M]+ 117.04204642 117.3
[M]- 117.04314358 117.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe