CID 6434383

Hex-5-en-3-yn-2-ol, 6-ethoxy-2-methyl-

Structural Information

Molecular Formula
C9H14O2
SMILES
CCO/C=C/C#CC(C)(C)O
InChI
InChI=1S/C9H14O2/c1-4-11-8-6-5-7-9(2,3)10/h6,8,10H,4H2,1-3H3/b8-6+
InChIKey
MUKUBPSTVVORKK-SOFGYWHQSA-N
Compound name
(E)-6-ethoxy-2-methylhex-5-en-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 136.3
[M+Na]+ 177.088598 145.4
[M-H]- 153.092104 135.0
[M+NH4]+ 172.133203 155.1
[M+K]+ 193.062538 143.3
[M+H-H2O]+ 137.096640 126.5
[M+HCOO]- 199.097581 151.8
[M+CH3COO]- 213.113231 182.2
[M+Na-2H]- 175.074046 141.3
[M]+ 154.09883142 132.4
[M]- 154.09992858 132.4
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

No patent data available for this compound.