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

7
Patents

172.10994 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11722 137.4
[M+Na]+ 195.09916 145.2
[M-H]- 171.10266 135.7
[M+NH4]+ 190.14376 155.1
[M+K]+ 211.07310 144.5
[M+H-H2O]+ 155.10720 126.7
[M+HCOO]- 217.10814 152.4
[M+CH3COO]- 231.12379 186.6
[M+Na-2H]- 193.08461 139.7
[M]+ 172.10939 134.7
[M]- 172.11049 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