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]+ 235.205636 154.8
[M+Na]+ 257.187578 160.6
[M-H]- 233.191084 155.0
[M+NH4]+ 252.232183 170.0
[M+K]+ 273.161518 158.1
[M+H-H2O]+ 217.195620 152.4
[M+HCOO]- 279.196561 173.2
[M+CH3COO]- 293.212211 187.3
[M+Na-2H]- 255.173026 155.5
[M]+ 234.19781142 149.7
[M]- 234.19890858 149.7
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.