CID 2793787

97859-51-3

Structural Information

Molecular Formula
C4H7NO3
SMILES
C1[C@H](OC(=O)N1)CO
InChI
InChI=1S/C4H7NO3/c6-2-3-1-5-4(7)8-3/h3,6H,1-2H2,(H,5,7)/t3-/m0/s1
InChIKey
LSYOFPBORRARMF-VKHMYHEASA-N
Compound name
(5S)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

649
Patents

117.042595 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.04987 120.2
[M+Na]+ 140.03181 127.8
[M-H]- 116.03532 120.4
[M+NH4]+ 135.07642 140.4
[M+K]+ 156.00575 127.7
[M+H-H2O]+ 100.03986 115.2
[M+HCOO]- 162.04080 139.8
[M+CH3COO]- 176.05645 160.7
[M+Na-2H]- 138.01726 126.0
[M]+ 117.04205 117.4
[M]- 117.04314 117.4
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