CID 102054965

1,5-cyclododecadiene, 9-methoxy-1,6,10-trimethyl-

Structural Information

Molecular Formula
C16H28O
SMILES
CC1CC/C(=C/CC/C=C(/CCC1OC)\C)/C
InChI
InChI=1S/C16H28O/c1-13-7-5-6-8-14(2)10-12-16(17-4)15(3)11-9-13/h7-8,15-16H,5-6,9-12H2,1-4H3/b13-7+,14-8+
InChIKey
KVUDYRZHDCHPGF-FNCQTZNRSA-N
Compound name
(1E,5E)-9-methoxy-1,6,10-trimethylcyclododeca-1,5-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.21402 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.22130 156.0
[M+Na]+ 259.20324 167.8
[M+NH4]+ 254.24784 164.1
[M+K]+ 275.17718 160.0
[M-H]- 235.20674 159.6
[M+Na-2H]- 257.18869 162.0
[M]+ 236.21347 158.5
[M]- 236.21457 158.5
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.