CID 528824

3,7,11-trimethyldodec-1-en-3-ol

Structural Information

Molecular Formula
C15H30O
SMILES
CC(C)CCCC(C)CCCC(C)(C=C)O
InChI
InChI=1S/C15H30O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,13-14,16H,1,7-12H2,2-5H3
InChIKey
XLIJOVLDKFATNT-UHFFFAOYSA-N
Compound name
3,7,11-trimethyldodec-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

226.22966 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.236936 162.1
[M+Na]+ 249.218878 165.6
[M-H]- 225.222384 159.9
[M+NH4]+ 244.263483 179.9
[M+K]+ 265.192818 163.3
[M+H-H2O]+ 209.226920 157.3
[M+HCOO]- 271.227861 178.4
[M+CH3COO]- 285.243511 194.8
[M+Na-2H]- 247.204326 162.1
[M]+ 226.22911142 163.9
[M]- 226.23020858 163.9
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