CID 109414

2-pentyne, 1-(1-ethoxyethoxy)-

Structural Information

Molecular Formula
C9H16O2
SMILES
CCC#CCOC(C)OCC
InChI
InChI=1S/C9H16O2/c1-4-6-7-8-11-9(3)10-5-2/h9H,4-5,8H2,1-3H3
InChIKey
BDQDVYYARGPWKU-UHFFFAOYSA-N
Compound name
1-(1-ethoxyethoxy)pent-2-yne
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

156.11504 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 132.3
[M+Na]+ 179.10426 140.9
[M-H]- 155.10776 131.9
[M+NH4]+ 174.14886 151.5
[M+K]+ 195.07820 140.0
[M+H-H2O]+ 139.11230 121.7
[M+HCOO]- 201.11324 149.5
[M+CH3COO]- 215.12889 186.6
[M+Na-2H]- 177.08971 136.5
[M]+ 156.11449 130.8
[M]- 156.11559 130.8
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

No patent data available for this compound.