CID 439223

Dtxsid40885954

Structural Information

Molecular Formula
C15H28O
SMILES
CC(CCC=C(C)CCC=C(C)C)CCO
InChI
InChI=1S/C15H28O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,15-16H,5-6,8,10-12H2,1-4H3
InChIKey
OOOOFOPLSIWRAR-UHFFFAOYSA-N
Compound name
3,7,11-trimethyldodeca-6,10-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

388
Patents

224.21402 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.22130 162.2
[M+Na]+ 247.20324 165.4
[M-H]- 223.20674 159.8
[M+NH4]+ 242.24784 179.9
[M+K]+ 263.17718 162.6
[M+H-H2O]+ 207.21128 156.9
[M+HCOO]- 269.21222 179.2
[M+CH3COO]- 283.22787 193.0
[M+Na-2H]- 245.18869 160.2
[M]+ 224.21347 162.9
[M]- 224.21457 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.