CID 52616

Isothiazolidine, 2-(2,4,4-trimethyl-2-pentyl)-, 1,1-dioxide

Structural Information

Molecular Formula
C11H23NO2S
SMILES
CC(C)(C)CC(C)(C)N1CCCS1(=O)=O
InChI
InChI=1S/C11H23NO2S/c1-10(2,3)9-11(4,5)12-7-6-8-15(12,13)14/h6-9H2,1-5H3
InChIKey
CJCQNFYONFORTN-UHFFFAOYSA-N
Compound name
2-(2,4,4-trimethylpentan-2-yl)-1,2-thiazolidine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

233.14494 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.152216 153.7
[M+Na]+ 256.134158 161.4
[M-H]- 232.137664 156.0
[M+NH4]+ 251.178763 175.1
[M+K]+ 272.108098 159.9
[M+H-H2O]+ 216.142200 149.9
[M+HCOO]- 278.143141 166.7
[M+CH3COO]- 292.158791 187.8
[M+Na-2H]- 254.119606 156.3
[M]+ 233.14439142 156.3
[M]- 233.14548858 156.3
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