CID 3022780

5-isobutyl-1-methoxyhex-5-ene

Structural Information

Molecular Formula
C11H22O
SMILES
CC(C)CC(=C)CCCCOC
InChI
InChI=1S/C11H22O/c1-10(2)9-11(3)7-5-6-8-12-4/h10H,3,5-9H2,1-2,4H3
InChIKey
IJCNAXBBGXNYCC-UHFFFAOYSA-N
Compound name
1-methoxy-7-methyl-5-methylideneoctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.16707 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.174346 144.0
[M+Na]+ 193.156288 149.1
[M-H]- 169.159794 143.7
[M+NH4]+ 188.200893 164.7
[M+K]+ 209.130228 148.4
[M+H-H2O]+ 153.164330 139.0
[M+HCOO]- 215.165271 164.7
[M+CH3COO]- 229.180921 185.1
[M+Na-2H]- 191.141736 146.0
[M]+ 170.16652142 146.7
[M]- 170.16761858 146.7
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

No patent data available for this compound.