CID 53621926

3-cyclopropylcyclohexan-1-one

Structural Information

Molecular Formula
C9H14O
SMILES
C1CC(CC(=O)C1)C2CC2
InChI
InChI=1S/C9H14O/c10-9-3-1-2-8(6-9)7-4-5-7/h7-8H,1-6H2
InChIKey
GJQMLFXHNWCZLS-UHFFFAOYSA-N
Compound name
3-cyclopropylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.111736 129.1
[M+Na]+ 161.093678 136.6
[M-H]- 137.097184 136.2
[M+NH4]+ 156.138283 145.8
[M+K]+ 177.067618 134.7
[M+H-H2O]+ 121.101720 122.9
[M+HCOO]- 183.102661 150.2
[M+CH3COO]- 197.118311 176.9
[M+Na-2H]- 159.079126 134.2
[M]+ 138.10391142 127.1
[M]- 138.10500858 127.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe