CID 11194315

3-methylidenehexan-1-ol

Structural Information

Molecular Formula
C7H14O
SMILES
CCCC(=C)CCO
InChI
InChI=1S/C7H14O/c1-3-4-7(2)5-6-8/h8H,2-6H2,1H3
InChIKey
BWROKMCJAGKDDI-UHFFFAOYSA-N
Compound name
3-methylidenehexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

114.10446 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.111736 126.0
[M+Na]+ 137.093678 132.5
[M-H]- 113.097184 124.9
[M+NH4]+ 132.138283 148.2
[M+K]+ 153.067618 131.5
[M+H-H2O]+ 97.101720 122.0
[M+HCOO]- 159.102661 147.5
[M+CH3COO]- 173.118311 169.4
[M+Na-2H]- 135.079126 130.9
[M]+ 114.10391142 125.9
[M]- 114.10500858 125.9
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