CID 212630

Brn 1293272

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13148 169.0
[M+Na]+ 318.11342 174.8
[M-H]- 294.11692 175.7
[M+NH4]+ 313.15802 186.8
[M+K]+ 334.08736 173.4
[M+H-H2O]+ 278.12146 163.4
[M+HCOO]- 340.12240 184.2
[M+CH3COO]- 354.13805 201.8
[M+Na-2H]- 316.09887 167.8
[M]+ 295.12365 171.1
[M]- 295.12475 171.1
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.