CID 407258

Nsc3417

Structural Information

Molecular Formula
C10H18N2OS2
SMILES
CCCCN=C1N(C(=O)SS1)CCCC
InChI
InChI=1S/C10H18N2OS2/c1-3-5-7-11-9-12(8-6-4-2)10(13)15-14-9/h3-8H2,1-2H3
InChIKey
WYQHGLUWGATNCO-UHFFFAOYSA-N
Compound name
4-butyl-5-butylimino-1,2,4-dithiazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.08606 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09334 152.5
[M+Na]+ 269.07528 161.9
[M-H]- 245.07878 156.3
[M+NH4]+ 264.11988 172.2
[M+K]+ 285.04922 157.5
[M+H-H2O]+ 229.08332 145.8
[M+HCOO]- 291.08426 168.0
[M+CH3COO]- 305.09991 195.0
[M+Na-2H]- 267.06073 151.5
[M]+ 246.08551 158.7
[M]- 246.08661 158.7
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.