CID 6562

Methacrolein

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

116
References

118531
Patents

70.04186 Da
Monoisotopic Mass

0.7
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.