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 153.8
[M+Na]+ 259.09745 158.5
[M-H]- 235.10095 150.9
[M+NH4]+ 254.14205 170.4
[M+K]+ 275.07139 156.2
[M+H-H2O]+ 219.10549 149.1
[M+HCOO]- 281.10643 164.7
[M+CH3COO]- 295.12208 185.4
[M+Na-2H]- 257.08290 152.1
[M]+ 236.10768 156.0
[M]- 236.10878 156.0
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.