CID 87676620

Dtxsid701259815

Structural Information

Molecular Formula
C12H24O2
SMILES
CCCC(/C=C\C(C)O)(C(C)(C)C)O
InChI
InChI=1S/C12H24O2/c1-6-8-12(14,11(3,4)5)9-7-10(2)13/h7,9-10,13-14H,6,8H2,1-5H3/b9-7-
InChIKey
YLWVSTUIPIADCC-CLFYSBASSA-N
Compound name
(Z)-5-tert-butyloct-3-ene-2,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

200.17763 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.184906 151.5
[M+Na]+ 223.166848 156.6
[M-H]- 199.170354 148.7
[M+NH4]+ 218.211453 169.9
[M+K]+ 239.140788 154.7
[M+H-H2O]+ 183.174890 148.0
[M+HCOO]- 245.175831 167.0
[M+CH3COO]- 259.191481 183.3
[M+Na-2H]- 221.152296 154.8
[M]+ 200.17708142 151.7
[M]- 200.17817858 151.7
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