CID 10307849

2-cyclopropylacetaldehyde

Structural Information

Molecular Formula
C5H8O
SMILES
C1CC1CC=O
InChI
InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2
InChIKey
TUHIBIVYQLRGME-UHFFFAOYSA-N
Compound name
2-cyclopropylacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2389
Patents

84.05752 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.064796 115.2
[M+Na]+ 107.04674 125.1
[M-H]- 83.050244 120.3
[M+NH4]+ 102.09134 134.3
[M+K]+ 123.02068 124.0
[M+H-H2O]+ 67.054780 110.0
[M+HCOO]- 129.05572 140.1
[M+CH3COO]- 143.07137 167.8
[M+Na-2H]- 105.03219 123.5
[M]+ 84.056971 118.0
[M]- 84.058069 118.0
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