CID 116735

Citronellyl butyl ether

Structural Information

Molecular Formula
C14H28O
SMILES
CCCCOCCC(C)CCC=C(C)C
InChI
InChI=1S/C14H28O/c1-5-6-11-15-12-10-14(4)9-7-8-13(2)3/h8,14H,5-7,9-12H2,1-4H3
InChIKey
ZEBHRRNMSFKVIM-UHFFFAOYSA-N
Compound name
8-butoxy-2,6-dimethyloct-2-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

27
Patents

212.21402 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.221296 158.2
[M+Na]+ 235.203238 162.1
[M-H]- 211.206744 157.4
[M+NH4]+ 230.247843 177.3
[M+K]+ 251.177178 160.6
[M+H-H2O]+ 195.211280 152.7
[M+HCOO]- 257.212221 177.9
[M+CH3COO]- 271.227871 193.5
[M+Na-2H]- 233.188686 158.5
[M]+ 212.21347142 162.0
[M]- 212.21456858 162.0
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