CID 85807

1-methoxy-3,7,11-trimethyldodeca-2,6,10-triene

Structural Information

Molecular Formula
C16H28O
SMILES
CC(=CCCC(=CCCC(=CCOC)C)C)C
InChI
InChI=1S/C16H28O/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-17-5/h8,10,12H,6-7,9,11,13H2,1-5H3
InChIKey
HZDZRGKULMGCJE-UHFFFAOYSA-N
Compound name
1-methoxy-3,7,11-trimethyldodeca-2,6,10-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

95
Patents

236.21402 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.221296 164.3
[M+Na]+ 259.203238 168.0
[M-H]- 235.206744 163.3
[M+NH4]+ 254.247843 182.3
[M+K]+ 275.177178 165.1
[M+H-H2O]+ 219.211280 158.7
[M+HCOO]- 281.212221 182.8
[M+CH3COO]- 295.227871 197.2
[M+Na-2H]- 257.188686 162.4
[M]+ 236.21347142 166.6
[M]- 236.21456858 166.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe