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]+ 237.22130 156.0
[M+Na]+ 259.20324 161.2
[M-H]- 235.20674 157.2
[M+NH4]+ 254.24784 173.5
[M+K]+ 275.17718 160.1
[M+H-H2O]+ 219.21128 153.8
[M+HCOO]- 281.21222 174.5
[M+CH3COO]- 295.22787 188.7
[M+Na-2H]- 257.18869 157.9
[M]+ 236.21347 151.2
[M]- 236.21457 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