CID 6434383

6-ethoxy-2-methylhex-5-en-3-yn-2-ol

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]+ 155.10666 136.3
[M+Na]+ 177.08860 145.4
[M-H]- 153.09210 135.0
[M+NH4]+ 172.13320 155.1
[M+K]+ 193.06254 143.3
[M+H-H2O]+ 137.09664 126.5
[M+HCOO]- 199.09758 151.8
[M+CH3COO]- 213.11323 182.2
[M+Na-2H]- 175.07405 141.3
[M]+ 154.09883 132.4
[M]- 154.09993 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.