CID 245546

6629-85-2

Structural Information

Molecular Formula
C5H9NO3
SMILES
CC1(COC(=O)N1)CO
InChI
InChI=1S/C5H9NO3/c1-5(2-7)3-9-4(8)6-5/h7H,2-3H2,1H3,(H,6,8)
InChIKey
JKUDHKGYEHJGQR-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

131.05824 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 123.5
[M+Na]+ 154.04746 131.6
[M-H]- 130.05096 123.9
[M+NH4]+ 149.09206 145.2
[M+K]+ 170.02140 131.4
[M+H-H2O]+ 114.05550 119.4
[M+HCOO]- 176.05644 142.8
[M+CH3COO]- 190.07209 163.3
[M+Na-2H]- 152.03291 130.1
[M]+ 131.05769 121.4
[M]- 131.05879 121.4
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