CID 114475

Lauryl hydroxysultaine

Structural Information

Molecular Formula
C17H38NO4S
SMILES
CCCCCCCCCCCC[N+](C)(C)CC(CS(=O)(=O)O)O
InChI
InChI=1S/C17H37NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-18(2,3)15-17(19)16-23(20,21)22/h17,19H,4-16H2,1-3H3/p+1
InChIKey
DDGPBVIAYDDWDH-UHFFFAOYSA-O
Compound name
dodecyl-(2-hydroxy-3-sulfopropyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

6944
Patents

352.25217 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.25945 185.1
[M+Na]+ 375.24139 186.7
[M-H]- 351.24489 182.4
[M+NH4]+ 370.28599 200.2
[M+K]+ 391.21533 177.8
[M+H-H2O]+ 335.24943 181.5
[M+HCOO]- 397.25037 216.4
[M+CH3COO]- 411.26602 206.7
[M+Na-2H]- 373.22684 187.3
[M]+ 352.25162 190.2
[M]- 352.25272 190.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe