CID 52613

2-dodecylisothiazolidine-1,1-dioxide

Structural Information

Molecular Formula
C15H31NO2S
SMILES
CCCCCCCCCCCCN1CCCS1(=O)=O
InChI
InChI=1S/C15H31NO2S/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-19(16,17)18/h2-15H2,1H3
InChIKey
AVZYWXGGHXVRJV-UHFFFAOYSA-N
Compound name
2-dodecyl-1,2-thiazolidine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.20755 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21483 169.8
[M+Na]+ 312.19677 174.9
[M-H]- 288.20027 170.6
[M+NH4]+ 307.24137 188.5
[M+K]+ 328.17071 171.4
[M+H-H2O]+ 272.20481 163.6
[M+HCOO]- 334.20575 184.5
[M+CH3COO]- 348.22140 199.6
[M+Na-2H]- 310.18222 168.2
[M]+ 289.20700 174.7
[M]- 289.20810 174.7
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.