CID 14891170

3-methylocta-2,7-dien-1-ol

Structural Information

Molecular Formula
C9H16O
SMILES
C/C(=C\CO)/CCCC=C
InChI
InChI=1S/C9H16O/c1-3-4-5-6-9(2)7-8-10/h3,7,10H,1,4-6,8H2,2H3/b9-7+
InChIKey
HEHRRPQLWPUVFO-VQHVLOKHSA-N
Compound name
(2E)-3-methylocta-2,7-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

140.12012 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 134.0
[M+Na]+ 163.10934 143.8
[M+NH4]+ 158.15394 141.4
[M+K]+ 179.08328 137.5
[M-H]- 139.11284 132.9
[M+Na-2H]- 161.09479 136.7
[M]+ 140.11957 134.8
[M]- 140.12067 134.8
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