CID 5356711

1-buten-3-ynyl methyl ether

Structural Information

Molecular Formula
C5H6O
SMILES
CO/C=C\C#C
InChI
InChI=1S/C5H6O/c1-3-4-5-6-2/h1,4-5H,2H3/b5-4-
InChIKey
VTWTUVLDYHBQTC-PLNGDYQASA-N
Compound name
(Z)-1-methoxybut-1-en-3-yne
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

82.04186 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 83.049136 112.0
[M+Na]+ 105.03108 122.5
[M-H]- 81.034584 112.3
[M+NH4]+ 100.07568 133.8
[M+K]+ 121.00502 121.3
[M+H-H2O]+ 65.039120 102.3
[M+HCOO]- 127.04006 131.2
[M+CH3COO]- 141.05571 173.1
[M+Na-2H]- 103.01653 119.4
[M]+ 82.041311 107.9
[M]- 82.042409 107.9
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

No patent data available for this compound.