CID 415021

1-hydroxyhexadecane-1-sulfonic acid sodium salt

Structural Information

Molecular Formula
C16H34O4S
SMILES
CCCCCCCCCCCCCCCC(O)S(=O)(=O)O
InChI
InChI=1S/C16H34O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)21(18,19)20/h16-17H,2-15H2,1H3,(H,18,19,20)
InChIKey
ZVMPSYSRUJVRMP-UHFFFAOYSA-N
Compound name
1-hydroxyhexadecane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

322.21777 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.225046 181.4
[M+Na]+ 345.206988 183.7
[M-H]- 321.210494 177.1
[M+NH4]+ 340.251593 194.7
[M+K]+ 361.180928 179.5
[M+H-H2O]+ 305.215030 175.2
[M+HCOO]- 367.215971 192.3
[M+CH3COO]- 381.231621 203.1
[M+Na-2H]- 343.192436 179.0
[M]+ 322.21722142 187.9
[M]- 322.21831858 187.9
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