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
6
Annotation Hits

189
References

19662
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

literature stripe

Patent stripe

patents stripe