CID 13598550

3-cyclopropylprop-2-enal

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 118.7
[M+Na]+ 119.04674 128.6
[M-H]- 95.050244 123.6
[M+NH4]+ 114.09134 137.3
[M+K]+ 135.02068 126.6
[M+H-H2O]+ 79.054780 113.3
[M+HCOO]- 141.05572 143.5
[M+CH3COO]- 155.07137 169.2
[M+Na-2H]- 117.03219 126.4
[M]+ 96.056971 121.1
[M]- 96.058069 121.1
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