CID 5362853

1,6-octadiene, 8-methoxy-

Structural Information

Molecular Formula
C9H16O
SMILES
COC/C=C/CCCC=C
InChI
InChI=1S/C9H16O/c1-3-4-5-6-7-8-9-10-2/h3,7-8H,1,4-6,9H2,2H3/b8-7+
InChIKey
MIJJHRIQVWIQGL-BQYQJAHWSA-N
Compound name
(6E)-8-methoxyocta-1,6-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

385
Patents

140.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 132.4
[M+Na]+ 163.10934 139.1
[M-H]- 139.11284 132.3
[M+NH4]+ 158.15394 154.3
[M+K]+ 179.08328 137.5
[M+H-H2O]+ 123.11738 127.8
[M+HCOO]- 185.11832 155.9
[M+CH3COO]- 199.13397 175.9
[M+Na-2H]- 161.09479 138.1
[M]+ 140.11957 134.9
[M]- 140.12067 134.9
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

patents stripe