CID 212627

24606-91-5

Structural Information

Molecular Formula
C13H17NO3S
SMILES
CCC1(OC(CS1)COC(=O)N)C2=CC=CC=C2
InChI
InChI=1S/C13H17NO3S/c1-2-13(10-6-4-3-5-7-10)17-11(9-18-13)8-16-12(14)15/h3-7,11H,2,8-9H2,1H3,(H2,14,15)
InChIKey
JVFNPGBOQVHPQT-UHFFFAOYSA-N
Compound name
(2-ethyl-2-phenyl-1,3-oxathiolan-5-yl)methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.09293 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10021 160.2
[M+Na]+ 290.08215 166.4
[M-H]- 266.08565 166.8
[M+NH4]+ 285.12675 178.9
[M+K]+ 306.05609 164.8
[M+H-H2O]+ 250.09019 154.4
[M+HCOO]- 312.09113 177.1
[M+CH3COO]- 326.10678 193.7
[M+Na-2H]- 288.06760 161.6
[M]+ 267.09238 161.8
[M]- 267.09348 161.8
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

No patent data available for this compound.