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
1
Annotation Hits

0
References

18
Patents

142.09938 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 128.7
[M+Na]+ 165.08860 137.3
[M-H]- 141.09210 128.5
[M+NH4]+ 160.13320 148.2
[M+K]+ 181.06254 137.1
[M+H-H2O]+ 125.09664 118.3
[M+HCOO]- 187.09758 145.2
[M+CH3COO]- 201.11323 185.8
[M+Na-2H]- 163.07405 132.2
[M]+ 142.09883 126.4
[M]- 142.09993 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