CID 103392

65416-29-7

Structural Information

Molecular Formula
C10H20O4S
SMILES
CC(CCC=C(C)C)CC(O)S(=O)(=O)O
InChI
InChI=1S/C10H20O4S/c1-8(2)5-4-6-9(3)7-10(11)15(12,13)14/h5,9-11H,4,6-7H2,1-3H3,(H,12,13,14)
InChIKey
FENZKIHQZXDTDV-UHFFFAOYSA-N
Compound name
1-hydroxy-3,7-dimethyloct-6-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

236.10823 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11551 155.8
[M+Na]+ 259.09745 161.5
[M+NH4]+ 254.14205 160.2
[M+K]+ 275.07139 157.7
[M-H]- 235.10095 151.1
[M+Na-2H]- 257.08290 154.4
[M]+ 236.10768 155.2
[M]- 236.10878 155.2
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.