CID 6570

Methyl vinyl ketone

Structural Information

Molecular Formula
C4H6O
SMILES
CC(=O)C=C
InChI
InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3
InChIKey
FUSUHKVFWTUUBE-UHFFFAOYSA-N
Compound name
but-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

226
References

69329
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 109.1
[M+Na]+ 93.031078 117.6
[M-H]- 69.034584 110.0
[M+NH4]+ 88.075683 133.7
[M+K]+ 109.00502 117.8
[M+H-H2O]+ 53.039120 105.6
[M+HCOO]- 115.04006 133.3
[M+CH3COO]- 129.05571 162.1
[M+Na-2H]- 91.016526 116.3
[M]+ 70.041311 109.1
[M]- 70.042409 109.1
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