CID 45092333

156642-19-2

Structural Information

Molecular Formula
C9H18N2O2S
SMILES
CC(C)(C)OC(=O)NCCCC(=S)N
InChI
InChI=1S/C9H18N2O2S/c1-9(2,3)13-8(12)11-6-4-5-7(10)14/h4-6H2,1-3H3,(H2,10,14)(H,11,12)
InChIKey
BQTYLUDDRSTBRV-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-amino-4-sulfanylidenebutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

218.1089 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11618 152.0
[M+Na]+ 241.09812 156.6
[M-H]- 217.10162 151.4
[M+NH4]+ 236.14272 170.1
[M+K]+ 257.07206 154.9
[M+H-H2O]+ 201.10616 146.1
[M+HCOO]- 263.10710 167.8
[M+CH3COO]- 277.12275 191.2
[M+Na-2H]- 239.08357 152.1
[M]+ 218.10835 153.1
[M]- 218.10945 153.1
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

patents stripe