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]+ 243.23186 167.4
[M+Na]+ 265.21380 169.5
[M-H]- 241.21730 163.5
[M+NH4]+ 260.25840 183.4
[M+K]+ 281.18774 167.3
[M+H-H2O]+ 225.22184 162.0
[M+HCOO]- 287.22278 181.9
[M+CH3COO]- 301.23843 195.5
[M+Na-2H]- 263.19925 163.5
[M]+ 242.22403 167.8
[M]- 242.22513 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.