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

27
Patents

218.1089 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.116176 152.0
[M+Na]+ 241.098118 156.6
[M-H]- 217.101624 151.4
[M+NH4]+ 236.142723 170.1
[M+K]+ 257.072058 154.9
[M+H-H2O]+ 201.106160 146.1
[M+HCOO]- 263.107101 167.8
[M+CH3COO]- 277.122751 191.2
[M+Na-2H]- 239.083566 152.1
[M]+ 218.10835142 153.1
[M]- 218.10944858 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