CID 537025

1-cyclopropylpropan-2-one

Structural Information

Molecular Formula
C6H10O
SMILES
CC(=O)CC1CC1
InChI
InChI=1S/C6H10O/c1-5(7)4-6-2-3-6/h6H,2-4H2,1H3
InChIKey
CTNXHXGIKSAADL-UHFFFAOYSA-N
Compound name
1-cyclopropylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

208
Patents

98.073166 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 119.8
[M+Na]+ 121.06238 132.2
[M+NH4]+ 116.10699 129.3
[M+K]+ 137.03632 128.2
[M-H]- 97.065890 127.8
[M+Na-2H]- 119.04783 127.9
[M]+ 98.072617 124.8
[M]- 98.073715 124.8
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