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]+ 268.100206 160.2
[M+Na]+ 290.082148 166.4
[M-H]- 266.085654 166.8
[M+NH4]+ 285.126753 178.9
[M+K]+ 306.056088 164.8
[M+H-H2O]+ 250.090190 154.4
[M+HCOO]- 312.091131 177.1
[M+CH3COO]- 326.106781 193.7
[M+Na-2H]- 288.067596 161.6
[M]+ 267.09238142 161.8
[M]- 267.09347858 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.