CID 212628

24606-92-6

Structural Information

Molecular Formula
C14H19NO3S
SMILES
CCCC1(OC(CS1)COC(=O)N)C2=CC=CC=C2
InChI
InChI=1S/C14H19NO3S/c1-2-8-14(11-6-4-3-5-7-11)18-12(10-19-14)9-17-13(15)16/h3-7,12H,2,8-10H2,1H3,(H2,15,16)
InChIKey
OSWDWOHNDRRUGN-UHFFFAOYSA-N
Compound name
(2-phenyl-2-propyl-1,3-oxathiolan-5-yl)methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.10855 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11583 164.6
[M+Na]+ 304.09777 170.3
[M-H]- 280.10127 171.0
[M+NH4]+ 299.14237 182.7
[M+K]+ 320.07171 168.5
[M+H-H2O]+ 264.10581 158.6
[M+HCOO]- 326.10675 181.2
[M+CH3COO]- 340.12240 196.7
[M+Na-2H]- 302.08322 165.5
[M]+ 281.10800 166.5
[M]- 281.10910 166.5
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.