CID 12201387

1-butyne, 3-(1-ethoxyethoxy)-3-methyl-

Structural Information

Molecular Formula
C9H16O2
SMILES
CCOC(C)OC(C)(C)C#C
InChI
InChI=1S/C9H16O2/c1-6-9(4,5)11-8(3)10-7-2/h1,8H,7H2,2-5H3
InChIKey
QEKLMMXTYUBKRD-UHFFFAOYSA-N
Compound name
3-(1-ethoxyethoxy)-3-methylbut-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

156.11504 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 134.6
[M+Na]+ 179.10426 143.3
[M-H]- 155.10776 134.4
[M+NH4]+ 174.14886 153.7
[M+K]+ 195.07820 142.9
[M+H-H2O]+ 139.11230 124.5
[M+HCOO]- 201.11324 150.3
[M+CH3COO]- 215.12889 188.1
[M+Na-2H]- 177.08971 139.1
[M]+ 156.11449 132.7
[M]- 156.11559 132.7
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