CID 579804

2-(2,6-dimethylhept-6-en-2-yl)-5-methylfuran

Structural Information

Molecular Formula
C14H22O
SMILES
CC1=CC=C(O1)C(C)(C)CCCC(=C)C
InChI
InChI=1S/C14H22O/c1-11(2)7-6-10-14(4,5)13-9-8-12(3)15-13/h8-9H,1,6-7,10H2,2-5H3
InChIKey
GHWXKPRRVHJBAE-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylhept-6-en-2-yl)-5-methylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.16707 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.174346 150.7
[M+Na]+ 229.156288 157.5
[M-H]- 205.159794 154.7
[M+NH4]+ 224.200893 170.7
[M+K]+ 245.130228 156.2
[M+H-H2O]+ 189.164330 145.8
[M+HCOO]- 251.165271 171.3
[M+CH3COO]- 265.180921 190.0
[M+Na-2H]- 227.141736 153.9
[M]+ 206.16652142 153.8
[M]- 206.16761858 153.8
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

No patent data available for this compound.