CID 549699

1-cyclopropylpropan-1-one

Structural Information

Molecular Formula
C6H10O
SMILES
CCC(=O)C1CC1
InChI
InChI=1S/C6H10O/c1-2-6(7)5-3-4-5/h5H,2-4H2,1H3
InChIKey
JXAVVBPORYWDME-UHFFFAOYSA-N
Compound name
1-cyclopropylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

252
Patents

98.073166 Da
Monoisotopic Mass

0.9
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