CID 13004

Cyclopropyl methyl ketone

Structural Information

Molecular Formula
C5H8O
SMILES
CC(=O)C1CC1
InChI
InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3
InChIKey
HVCFCNAITDHQFX-UHFFFAOYSA-N
Compound name
1-cyclopropylethanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

5480
Patents

84.05752 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.064796 114.8
[M+Na]+ 107.04674 124.5
[M-H]- 83.050244 119.9
[M+NH4]+ 102.09134 133.8
[M+K]+ 123.02068 123.7
[M+H-H2O]+ 67.054780 109.6
[M+HCOO]- 129.05572 138.8
[M+CH3COO]- 143.07137 168.6
[M+Na-2H]- 105.03219 121.9
[M]+ 84.056971 117.0
[M]- 84.058069 117.0
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