CID 13347870

93617-85-7

Structural Information

Molecular Formula
C8H12ClNO3
SMILES
CC(C)[C@H]1COC(=O)N1C(=O)CCl
InChI
InChI=1S/C8H12ClNO3/c1-5(2)6-4-13-8(12)10(6)7(11)3-9/h5-6H,3-4H2,1-2H3/t6-/m1/s1
InChIKey
BMIPCCMPWHPOGN-ZCFIWIBFSA-N
Compound name
(4S)-3-(2-chloroacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.05057 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.057846 142.4
[M+Na]+ 228.039788 150.7
[M-H]- 204.043294 145.2
[M+NH4]+ 223.084393 161.5
[M+K]+ 244.013728 149.6
[M+H-H2O]+ 188.047830 137.5
[M+HCOO]- 250.048771 157.3
[M+CH3COO]- 264.064421 183.3
[M+Na-2H]- 226.025236 143.5
[M]+ 205.05002142 144.9
[M]- 205.05111858 144.9
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

No patent data available for this compound.