CID 138040307

2243512-11-8

Structural Information

Molecular Formula
C12H24N2O3S
SMILES
CC1(C(CCS1(=N)=O)CNC(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H24N2O3S/c1-11(2,3)17-10(15)14-8-9-6-7-18(13,16)12(9,4)5/h9,13H,6-8H2,1-5H3,(H,14,15)
InChIKey
DCYJBBPOPCRRPX-UHFFFAOYSA-N
Compound name
tert-butyl N-[(1-imino-2,2-dimethyl-1-oxothiolan-3-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.15076 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15804 159.4
[M+Na]+ 299.13998 165.8
[M-H]- 275.14348 162.7
[M+NH4]+ 294.18458 181.4
[M+K]+ 315.11392 164.0
[M+H-H2O]+ 259.14802 156.4
[M+HCOO]- 321.14896 175.8
[M+CH3COO]- 335.16461 199.2
[M+Na-2H]- 297.12543 162.4
[M]+ 276.15021 161.5
[M]- 276.15131 161.5
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.