CID 643188

1-methoxy-1-buten-3-yne

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-SNAWJCMRSA-N
Compound name
(E)-1-methoxybut-1-en-3-yne
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
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 114.3
[M+Na]+ 105.03108 125.7
[M+NH4]+ 100.07568 119.4
[M+K]+ 121.00502 116.9
[M-H]- 81.034584 106.5
[M+Na-2H]- 103.01653 116.7
[M]+ 82.041311 112.8
[M]- 82.042409 112.8
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