CID 134888928

Schembl28757911

Structural Information

Molecular Formula
C10H18O4S
SMILES
CC(=CCC/C(=C/COS(=O)(=O)O)/C)C
InChI
InChI=1S/C10H18O4S/c1-9(2)5-4-6-10(3)7-8-14-15(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,11,12,13)/b10-7+
InChIKey
OLJYZVCOHXCPAB-JXMROGBWSA-N
Compound name
[(2E)-3,7-dimethylocta-2,6-dienyl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

234.09258 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09986 152.6
[M+Na]+ 257.08180 158.5
[M-H]- 233.08530 151.2
[M+NH4]+ 252.12640 170.2
[M+K]+ 273.05574 155.9
[M+H-H2O]+ 217.08984 147.7
[M+HCOO]- 279.09078 166.3
[M+CH3COO]- 293.10643 185.5
[M+Na-2H]- 255.06725 152.5
[M]+ 234.09203 156.6
[M]- 234.09313 156.6
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