CID 6450395

Trimethylcyclododeca-1,5-dienemethanol

Structural Information

Molecular Formula
C16H26O
SMILES
C/C/1=C\CC/C=C(/CC/C(=C(/CC1)\C)/C)\CO
InChI
InChI=1S/C16H26O/c1-13-6-4-5-7-16(12-17)11-10-15(3)14(2)9-8-13/h6-7,17H,4-5,8-12H2,1-3H3/b13-6+,15-14+,16-7-
InChIKey
PUXPCEIAIWOVKB-FBYPFSEASA-N
Compound name
[(1Z,5E,9E)-6,9,10-trimethylcyclododeca-1,5,9-trien-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.19836 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.20564 154.9
[M+Na]+ 257.18758 167.1
[M+NH4]+ 252.23218 162.7
[M+K]+ 273.16152 159.4
[M-H]- 233.19108 158.2
[M+Na-2H]- 255.17303 161.2
[M]+ 234.19781 157.3
[M]- 234.19891 157.3
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.