CID 70503450

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

Structural Information

Molecular Formula
C16H28O
SMILES
C/C/1=C/CCCC(CC/C(=C\CC1)/C)(C)OC
InChI
InChI=1S/C16H28O/c1-14-8-5-6-12-16(3,17-4)13-11-15(2)10-7-9-14/h8,10H,5-7,9,11-13H2,1-4H3/b14-8-,15-10-
InChIKey
FZIGDKXILZIFTK-CKXDQZPMSA-N
Compound name
(1Z,5Z)-10-methoxy-1,5,10-trimethylcyclododeca-1,5-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

236.21402 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.221296 156.0
[M+Na]+ 259.203238 161.2
[M-H]- 235.206744 157.2
[M+NH4]+ 254.247843 173.5
[M+K]+ 275.177178 160.1
[M+H-H2O]+ 219.211280 153.8
[M+HCOO]- 281.212221 174.5
[M+CH3COO]- 295.227871 188.7
[M+Na-2H]- 257.188686 157.9
[M]+ 236.21347142 151.2
[M]- 236.21456858 151.2
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

patents stripe