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
7
Annotation Hits

189
References

18520
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 110.6
[M+Na]+ 93.031078 121.0
[M-H]- 69.034584 116.5
[M+NH4]+ 88.075683 129.0
[M+K]+ 109.00502 121.3
[M+H-H2O]+ 53.039120 105.3
[M+HCOO]- 115.04006 134.8
[M+CH3COO]- 129.05571 164.7
[M+Na-2H]- 91.016526 120.5
[M]+ 70.041311 113.7
[M]- 70.042409 113.7
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.