CID 11051761

4,4-diethoxybut-1-yne

Structural Information

Molecular Formula
C8H14O2
SMILES
CCOC(CC#C)OCC
InChI
InChI=1S/C8H14O2/c1-4-7-8(9-5-2)10-6-3/h1,8H,5-7H2,2-3H3
InChIKey
YIUIBFPHUMLIBP-UHFFFAOYSA-N
Compound name
4,4-diethoxybut-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

142.09938 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 127.7
[M+Na]+ 165.088598 136.4
[M-H]- 141.092104 127.4
[M+NH4]+ 160.133203 147.2
[M+K]+ 181.062538 135.8
[M+H-H2O]+ 125.096640 117.1
[M+HCOO]- 187.097581 145.1
[M+CH3COO]- 201.113231 185.1
[M+Na-2H]- 163.074046 132.4
[M]+ 142.09883142 125.9
[M]- 142.09992858 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

literature stripe

Patent stripe

patents stripe