CID 447466

Crotonaldehyde

Structural Information

Molecular Formula
C4H6O
SMILES
C/C=C/C=O
InChI
InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+
InChIKey
MLUCVPSAIODCQM-NSCUHMNNSA-N
Compound name
(E)-but-2-enal
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

421
References

37459
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 110.9
[M+Na]+ 93.031078 122.5
[M+NH4]+ 88.075683 119.6
[M+K]+ 109.00502 116.4
[M-H]- 69.034584 110.7
[M+Na-2H]- 91.016526 116.0
[M]+ 70.041311 112.3
[M]- 70.042409 112.3
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