CID 551242

2,5-dimethyl-1,5-hexadien-3-ol

Structural Information

Molecular Formula
C8H14O
SMILES
CC(=C)CC(C(=C)C)O
InChI
InChI=1S/C8H14O/c1-6(2)5-8(9)7(3)4/h8-9H,1,3,5H2,2,4H3
InChIKey
QQMFDURNWCUKNS-UHFFFAOYSA-N
Compound name
2,5-dimethylhexa-1,5-dien-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

126.10446 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 129.1
[M+Na]+ 149.093678 135.1
[M-H]- 125.097184 128.0
[M+NH4]+ 144.138283 150.6
[M+K]+ 165.067618 134.1
[M+H-H2O]+ 109.101720 125.1
[M+HCOO]- 171.102661 148.4
[M+CH3COO]- 185.118311 173.3
[M+Na-2H]- 147.079126 130.9
[M]+ 126.10391142 127.3
[M]- 126.10500858 127.3
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.