CID 3035324

1444-06-0

Structural Information

Molecular Formula
C12H24N2O3S
SMILES
CCCC(C)(COC(=S)N)COC(=O)NC(C)C
InChI
InChI=1S/C12H24N2O3S/c1-5-6-12(4,7-16-10(13)18)8-17-11(15)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,18)(H,14,15)
InChIKey
QWNSMEWKAXGMCM-UHFFFAOYSA-N
Compound name
[2-(carbamothioyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.15076 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15804 168.3
[M+Na]+ 299.13998 172.3
[M+NH4]+ 294.18458 172.8
[M+K]+ 315.11392 168.1
[M-H]- 275.14348 165.6
[M+Na-2H]- 297.12543 167.3
[M]+ 276.15021 167.9
[M]- 276.15131 167.9
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.