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

literature stripe

Patent stripe

patents stripe