CID 3022579

7,8-dimethoxyoct-1-ene

Structural Information

Molecular Formula
C10H20O2
SMILES
COCC(CCCCC=C)OC
InChI
InChI=1S/C10H20O2/c1-4-5-6-7-8-10(12-3)9-11-2/h4,10H,1,5-9H2,2-3H3
InChIKey
NAOGXLWCFLVHSB-UHFFFAOYSA-N
Compound name
7,8-dimethoxyoct-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

172.14633 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.153606 142.2
[M+Na]+ 195.135548 147.9
[M-H]- 171.139054 141.9
[M+NH4]+ 190.180153 162.7
[M+K]+ 211.109488 147.4
[M+H-H2O]+ 155.143590 137.1
[M+HCOO]- 217.144531 164.4
[M+CH3COO]- 231.160181 183.2
[M+Na-2H]- 193.120996 146.0
[M]+ 172.14578142 146.6
[M]- 172.14687858 146.6
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