CID 6365584

63343-23-7

Structural Information

Molecular Formula
C14H26O
SMILES
CC(=CCC/C(=C/COC(C)(C)C)/C)C
InChI
InChI=1S/C14H26O/c1-12(2)8-7-9-13(3)10-11-15-14(4,5)6/h8,10H,7,9,11H2,1-6H3/b13-10+
InChIKey
OSIVVAJCXDMLCS-JLHYYAGUSA-N
Compound name
(2E)-3,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octa-2,6-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

210.19836 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.205636 155.3
[M+Na]+ 233.187578 160.2
[M-H]- 209.191084 155.0
[M+NH4]+ 228.232183 174.7
[M+K]+ 249.161518 158.6
[M+H-H2O]+ 193.195620 150.7
[M+HCOO]- 255.196561 173.8
[M+CH3COO]- 269.212211 191.5
[M+Na-2H]- 231.173026 156.6
[M]+ 210.19781142 157.8
[M]- 210.19890858 157.8
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