CID 215499

35801-62-8

Structural Information

Molecular Formula
C7H13NO2S2
SMILES
CC1(SCC(S1)COC(=O)N)C
InChI
InChI=1S/C7H13NO2S2/c1-7(2)11-4-5(12-7)3-10-6(8)9/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKey
NVMAYDSQOSXSJU-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-1,3-dithiolan-4-yl)methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.03877 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.04605 142.3
[M+Na]+ 230.02799 149.2
[M-H]- 206.03149 144.8
[M+NH4]+ 225.07259 164.9
[M+K]+ 246.00193 146.7
[M+H-H2O]+ 190.03603 138.1
[M+HCOO]- 252.03697 153.9
[M+CH3COO]- 266.05262 183.0
[M+Na-2H]- 228.01344 141.6
[M]+ 207.03822 143.1
[M]- 207.03932 143.1
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.