CID 131753009

2,10-dimethyl-6-methylene-1,4-dodecanediol

Structural Information

Molecular Formula
C15H30O2
SMILES
CCC(C)CCCC(=C)CC(CC(C)CO)O
InChI
InChI=1S/C15H30O2/c1-5-12(2)7-6-8-13(3)9-15(17)10-14(4)11-16/h12,14-17H,3,5-11H2,1-2,4H3
InChIKey
VBYQXYSSKALZIL-UHFFFAOYSA-N
Compound name
2,10-dimethyl-6-methylidenedodecane-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.22458 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.231856 167.4
[M+Na]+ 265.213798 169.5
[M-H]- 241.217304 163.5
[M+NH4]+ 260.258403 183.4
[M+K]+ 281.187738 167.3
[M+H-H2O]+ 225.221840 162.0
[M+HCOO]- 287.222781 181.9
[M+CH3COO]- 301.238431 195.5
[M+Na-2H]- 263.199246 163.5
[M]+ 242.22403142 167.8
[M]- 242.22512858 167.8
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

No patent data available for this compound.