CID 102054967

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

Structural Information

Molecular Formula
C16H28O
SMILES
CC1CC/C=C(/CC/C=C(/CCC1OC)\C)\C
InChI
InChI=1S/C16H28O/c1-13-7-5-8-14(2)11-12-16(17-4)15(3)10-6-9-13/h8-9,15-16H,5-7,10-12H2,1-4H3/b13-9+,14-8+
InChIKey
NBCYRXUNLSUPOJ-UAUIHIKDSA-N
Compound name
(1E,5E)-10-methoxy-1,5,9-trimethylcyclododeca-1,5-diene
Related CIDs

2D Structure

compound 2d structure
3
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]+ 237.221296 155.5
[M+Na]+ 259.203238 160.7
[M-H]- 235.206744 156.7
[M+NH4]+ 254.247843 171.3
[M+K]+ 275.177178 159.3
[M+H-H2O]+ 219.211280 152.9
[M+HCOO]- 281.212221 174.0
[M+CH3COO]- 295.227871 190.3
[M+Na-2H]- 257.188686 155.7
[M]+ 236.21347142 150.9
[M]- 236.21456858 150.9
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.