CID 534954

1-cyclopropylprop-2-en-1-one

Structural Information

Molecular Formula
C6H8O
SMILES
C=CC(=O)C1CC1
InChI
InChI=1S/C6H8O/c1-2-6(7)5-3-4-5/h2,5H,1,3-4H2
InChIKey
TWFKEGONKTUVSX-UHFFFAOYSA-N
Compound name
1-cyclopropylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

96.05752 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.064796 118.1
[M+Na]+ 119.04674 127.6
[M-H]- 95.050244 123.0
[M+NH4]+ 114.09134 136.6
[M+K]+ 135.02068 125.9
[M+H-H2O]+ 79.054780 112.8
[M+HCOO]- 141.05572 141.9
[M+CH3COO]- 155.07137 170.5
[M+Na-2H]- 117.03219 124.6
[M]+ 96.056971 119.9
[M]- 96.058069 119.9
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