CID 13551785

2-cyclopropylcyclohexan-1-one

Structural Information

Molecular Formula
C9H14O
SMILES
C1CCC(=O)C(C1)C2CC2
InChI
InChI=1S/C9H14O/c10-9-4-2-1-3-8(9)7-5-6-7/h7-8H,1-6H2
InChIKey
SLWWSVMYVPWUEA-UHFFFAOYSA-N
Compound name
2-cyclopropylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

138.10446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.11174 129.1
[M+Na]+ 161.09368 136.6
[M-H]- 137.09718 136.2
[M+NH4]+ 156.13828 145.8
[M+K]+ 177.06762 134.7
[M+H-H2O]+ 121.10172 122.9
[M+HCOO]- 183.10266 150.2
[M+CH3COO]- 197.11831 176.9
[M+Na-2H]- 159.07913 134.2
[M]+ 138.10391 127.1
[M]- 138.10501 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

literature stripe

Patent stripe

patents stripe