CID 6450398

Cyclododecadienol, trimethyl-

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@@H]1C/C=C(/CC/C(=C/CCC[C@@H]1O)/C)\C
InChI
InChI=1S/C15H26O/c1-12-6-4-5-7-15(16)14(3)11-10-13(2)9-8-12/h6,10,14-16H,4-5,7-9,11H2,1-3H3/b12-6+,13-10+/t14-,15+/m1/s1
InChIKey
YOZMYYZFZIDFPE-MDKMTUDGSA-N
Compound name
(1S,2R,4E,8E)-2,5,8-trimethylcyclododeca-4,8-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 152.1
[M+Na]+ 245.18758 163.5
[M+NH4]+ 240.23218 160.0
[M+K]+ 261.16152 156.2
[M-H]- 221.19108 155.2
[M+Na-2H]- 243.17303 157.7
[M]+ 222.19781 154.3
[M]- 222.19891 154.3
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.