CID 215502

Brn 1259408

Structural Information

Molecular Formula
C15H21NO2S2
SMILES
CC(C)C1=CC=C(C=C1)C2(SCC(S2)COC(=O)N)C
InChI
InChI=1S/C15H21NO2S2/c1-10(2)11-4-6-12(7-5-11)15(3)19-9-13(20-15)8-18-14(16)17/h4-7,10,13H,8-9H2,1-3H3,(H2,16,17)
InChIKey
CXTZVUUTBSIQMU-UHFFFAOYSA-N
Compound name
[2-methyl-2-(4-propan-2-ylphenyl)-1,3-dithiolan-4-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.10138 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.10866 170.6
[M+Na]+ 334.09060 176.3
[M-H]- 310.09410 175.9
[M+NH4]+ 329.13520 189.1
[M+K]+ 350.06454 172.0
[M+H-H2O]+ 294.09864 165.1
[M+HCOO]- 356.09958 180.5
[M+CH3COO]- 370.11523 204.0
[M+Na-2H]- 332.07605 167.4
[M]+ 311.10083 171.8
[M]- 311.10193 171.8
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.