CID 10012003

3-(1-ethoxyethoxy)but-1-yne

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

142.09938 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 128.7
[M+Na]+ 165.088598 137.3
[M-H]- 141.092104 128.5
[M+NH4]+ 160.133203 148.2
[M+K]+ 181.062538 137.1
[M+H-H2O]+ 125.096640 118.3
[M+HCOO]- 187.097581 145.2
[M+CH3COO]- 201.113231 185.8
[M+Na-2H]- 163.074046 132.2
[M]+ 142.09883142 126.4
[M]- 142.09992858 126.4
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