CID 7847

Acrolein

Structural Information

Molecular Formula
C3H4O
SMILES
C=CC=O
InChI
InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2
InChIKey
HGINCPLSRVDWNT-UHFFFAOYSA-N
Compound name
prop-2-enal
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

5696
References

95101
Patents

56.026215 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 57.033491 106.3
[M+Na]+ 79.015433 118.1
[M+NH4]+ 74.060038 115.1
[M+K]+ 94.989373 112.2
[M-H]- 55.018939 106.2
[M+Na-2H]- 77.000881 111.7
[M]+ 56.025666 107.8
[M]- 56.026764 107.8
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