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]+ 223.205636 152.2
[M+Na]+ 245.187578 157.4
[M-H]- 221.191084 152.2
[M+NH4]+ 240.232183 167.8
[M+K]+ 261.161518 155.3
[M+H-H2O]+ 205.195620 150.0
[M+HCOO]- 267.196561 169.4
[M+CH3COO]- 281.212211 184.7
[M+Na-2H]- 243.173026 152.4
[M]+ 222.19781142 145.3
[M]- 222.19890858 145.3
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.