CID 13598550

3-cyclopropylacrylaldehyde

Structural Information

Molecular Formula
C6H8O
SMILES
C1CC1/C=C/C=O
InChI
InChI=1S/C6H8O/c7-5-1-2-6-3-4-6/h1-2,5-6H,3-4H2/b2-1+
InChIKey
KZZDSVLUZALMOT-OWOJBTEDSA-N
Compound name
(E)-3-cyclopropylprop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

96.05752 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.064796 119.3
[M+Na]+ 119.04674 131.9
[M+NH4]+ 114.09134 128.5
[M+K]+ 135.02068 127.1
[M-H]- 95.050244 127.1
[M+Na-2H]- 117.03219 127.5
[M]+ 96.056971 124.2
[M]- 96.058069 124.2
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