CID 558202

3-ethoxy-3-ethylpent-1-yne

Structural Information

Molecular Formula
C9H16O
SMILES
CCC(CC)(C#C)OCC
InChI
InChI=1S/C9H16O/c1-5-9(6-2,7-3)10-8-4/h1H,6-8H2,2-4H3
InChIKey
UJUPEHRSFQFPLK-UHFFFAOYSA-N
Compound name
3-ethoxy-3-ethylpent-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

140.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 131.4
[M+Na]+ 163.10934 140.4
[M-H]- 139.11284 131.3
[M+NH4]+ 158.15394 151.2
[M+K]+ 179.08328 139.2
[M+H-H2O]+ 123.11738 121.5
[M+HCOO]- 185.11832 147.8
[M+CH3COO]- 199.13397 185.7
[M+Na-2H]- 161.09479 137.1
[M]+ 140.11957 128.9
[M]- 140.12067 128.9
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