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

29
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

literature stripe

Patent stripe

patents stripe