CID 11446327

3-methylhepta-2,6-dien-1-ol

Structural Information

Molecular Formula
C8H14O
SMILES
C/C(=C\CO)/CCC=C
InChI
InChI=1S/C8H14O/c1-3-4-5-8(2)6-7-9/h3,6,9H,1,4-5,7H2,2H3/b8-6+
InChIKey
MSQFYBKYYIVVAG-SOFGYWHQSA-N
Compound name
(2E)-3-methylhepta-2,6-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

126.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 129.2
[M+Na]+ 149.093678 135.7
[M-H]- 125.097184 128.0
[M+NH4]+ 144.138283 150.9
[M+K]+ 165.067618 133.8
[M+H-H2O]+ 109.101720 125.1
[M+HCOO]- 171.102661 150.6
[M+CH3COO]- 185.118311 170.9
[M+Na-2H]- 147.079126 133.6
[M]+ 126.10391142 128.7
[M]- 126.10500858 128.7
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