CID 6444514

1-butoxy-1-buten-3-yne

Structural Information

Molecular Formula
C8H12O
SMILES
CCCCO/C=C/C#C
InChI
InChI=1S/C8H12O/c1-3-5-7-9-8-6-4-2/h1,5,7H,4,6,8H2,2H3/b7-5+
InChIKey
FMSGJPWEFWNZHI-FNORWQNLSA-N
Compound name
1-[(E)-but-1-en-3-ynoxy]butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

124.08881 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 126.3
[M+Na]+ 147.07803 137.2
[M+NH4]+ 142.12263 131.0
[M+K]+ 163.05197 127.7
[M-H]- 123.08153 118.4
[M+Na-2H]- 145.06348 128.0
[M]+ 124.08826 124.7
[M]- 124.08936 124.7
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.