CID 3015238

1-decanol, 2-hexyl-, hydrogen sulfate, sodium salt

Structural Information

Molecular Formula
C16H34O4S
SMILES
CCCCCCCCC(CCCCCC)COS(=O)(=O)O
InChI
InChI=1S/C16H34O4S/c1-3-5-7-9-10-12-14-16(13-11-8-6-4-2)15-20-21(17,18)19/h16H,3-15H2,1-2H3,(H,17,18,19)
InChIKey
HHZJDUIWODCURL-UHFFFAOYSA-N
Compound name
2-hexyldecyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

322.21777 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.22505 181.4
[M+Na]+ 345.20699 184.1
[M-H]- 321.21049 178.5
[M+NH4]+ 340.25159 195.4
[M+K]+ 361.18093 180.8
[M+H-H2O]+ 305.21503 174.9
[M+HCOO]- 367.21597 193.7
[M+CH3COO]- 381.23162 205.6
[M+Na-2H]- 343.19244 179.4
[M]+ 322.21722 189.7
[M]- 322.21832 189.7
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

patents stripe