CID 10931888

5,5-diethoxypent-3-yn-2-ol

Structural Information

Molecular Formula
C9H16O3
SMILES
CCOC(C#CC(C)O)OCC
InChI
InChI=1S/C9H16O3/c1-4-11-9(12-5-2)7-6-8(3)10/h8-10H,4-5H2,1-3H3
InChIKey
NUYIPJRBAIRPDV-UHFFFAOYSA-N
Compound name
5,5-diethoxypent-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

172.10994 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 137.4
[M+Na]+ 195.099158 145.2
[M-H]- 171.102664 135.7
[M+NH4]+ 190.143763 155.1
[M+K]+ 211.073098 144.5
[M+H-H2O]+ 155.107200 126.7
[M+HCOO]- 217.108141 152.4
[M+CH3COO]- 231.123791 186.6
[M+Na-2H]- 193.084606 139.7
[M]+ 172.10939142 134.7
[M]- 172.11048858 134.7
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