CID 212630

24606-94-8

Structural Information

Molecular Formula

C₁₅H₂₁NO₃S

SMILES

CC(C)C1=CC=C(C=C1)C2(OC(CS2)COC(=O)N)C

InChI

InChI=1S/C15H21NO3S/c1-10(2)11-4-6-12(7-5-11)15(3)19-13(9-20-15)8-18-14(16)17/h4-7,10,13H,8-9H2,1-3H3,(H2,16,17)

InChIKey

HEALGMFUJXABDH-UHFFFAOYSA-N

Compound name

[2-methyl-2-(4-propan-2-ylphenyl)-1,3-oxathiolan-5-yl]methyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 295.1242 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	296.131476	169.0
[M+Na]+	318.113418	174.8
[M-H]-	294.116924	175.7
[M+NH4]+	313.158023	186.8
[M+K]+	334.087358	173.4
[M+H-H2O]+	278.121460	163.4
[M+HCOO]-	340.122401	184.2
[M+CH3COO]-	354.138051	201.8
[M+Na-2H]-	316.098866	167.8
[M]+	295.12365142	171.1
[M]-	295.12474858	171.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.