CID 40588

4-ethyl-1,6-heptadien-4-ol

Structural Information

Molecular Formula
C9H16O
SMILES
CCC(CC=C)(CC=C)O
InChI
InChI=1S/C9H16O/c1-4-7-9(10,6-3)8-5-2/h4-5,10H,1-2,6-8H2,3H3
InChIKey
ZNYOYPXOCNWHCW-UHFFFAOYSA-N
Compound name
4-ethylhepta-1,6-dien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 133.0
[M+Na]+ 163.10934 139.7
[M-H]- 139.11284 131.8
[M+NH4]+ 158.15394 154.3
[M+K]+ 179.08328 137.4
[M+H-H2O]+ 123.11738 129.3
[M+HCOO]- 185.11832 153.5
[M+CH3COO]- 199.13397 174.0
[M+Na-2H]- 161.09479 138.8
[M]+ 140.11957 133.1
[M]- 140.12067 133.1
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.