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]+ 206.05785 142.4
[M+Na]+ 228.03979 150.7
[M-H]- 204.04329 145.2
[M+NH4]+ 223.08439 161.5
[M+K]+ 244.01373 149.6
[M+H-H2O]+ 188.04783 137.5
[M+HCOO]- 250.04877 157.3
[M+CH3COO]- 264.06442 183.3
[M+Na-2H]- 226.02524 143.5
[M]+ 205.05002 144.9
[M]- 205.05112 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.