CID 35709

4-(dibutylamino)-1,2-dithiolane oxalate

Structural Information

Molecular Formula
C11H23NS2
SMILES
CCCCN(CCCC)C1CSSC1
InChI
InChI=1S/C11H23NS2/c1-3-5-7-12(8-6-4-2)11-9-13-14-10-11/h11H,3-10H2,1-2H3
InChIKey
BRFWDJJMXLELMY-UHFFFAOYSA-N
Compound name
N,N-dibutyldithiolan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.1272 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.134476 154.5
[M+Na]+ 256.116418 158.9
[M-H]- 232.119924 158.1
[M+NH4]+ 251.161023 175.1
[M+K]+ 272.090358 156.3
[M+H-H2O]+ 216.124460 148.0
[M+HCOO]- 278.125401 166.4
[M+CH3COO]- 292.141051 195.1
[M+Na-2H]- 254.101866 151.6
[M]+ 233.12665142 156.7
[M]- 233.12774858 156.7
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.