CID 13586

Butadiene monoxide

Structural Information

Molecular Formula
C4H6O
SMILES
C=CC1CO1
InChI
InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2
InChIKey
GXBYFVGCMPJVJX-UHFFFAOYSA-N
Compound name
2-ethenyloxirane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

189
References

14577
Patents

70.04186 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 71.049136 111.4
[M+Na]+ 93.031078 124.8
[M+NH4]+ 88.075683 121.2
[M+K]+ 109.00502 120.8
[M-H]- 69.034584 120.9
[M+Na-2H]- 91.016526 119.9
[M]+ 70.041311 117.0
[M]- 70.042409 117.0
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