CID 62666859

Tert-butyl n-(1-carbamothioylethyl)-n-methylcarbamate

Structural Information

Molecular Formula
C9H18N2O2S
SMILES
CC(C(=S)N)N(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C9H18N2O2S/c1-6(7(10)14)11(5)8(12)13-9(2,3)4/h6H,1-5H3,(H2,10,14)
InChIKey
BVPJTUWKEXTCPC-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

218.1089 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11618 153.2
[M+Na]+ 241.09812 158.5
[M+NH4]+ 236.14272 159.0
[M+K]+ 257.07206 155.0
[M-H]- 217.10162 151.5
[M+Na-2H]- 239.08357 153.5
[M]+ 218.10835 153.5
[M]- 218.10945 153.5
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

patents stripe