CID 145867505

2375268-43-0

Structural Information

Molecular Formula
C13H24N2O3S
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2CCS(=N)(=O)CC2
InChI
InChI=1S/C13H24N2O3S/c1-13(2,3)18-12(16)15-8-11(9-15)10-4-6-19(14,17)7-5-10/h10-11,14H,4-9H2,1-3H3
InChIKey
ZUTOQTOOZLIYSS-UHFFFAOYSA-N
Compound name
tert-butyl 3-(1-imino-1-oxothian-4-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.15076 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15804 167.7
[M+Na]+ 311.13998 170.2
[M+NH4]+ 306.18458 171.0
[M+K]+ 327.11392 165.0
[M-H]- 287.14348 165.4
[M+Na-2H]- 309.12543 168.9
[M]+ 288.15021 166.4
[M]- 288.15131 166.4
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.