CID 12243519

Cyclohexyl(cyclopropyl)methanone

Structural Information

Molecular Formula
C10H16O
SMILES
C1CCC(CC1)C(=O)C2CC2
InChI
InChI=1S/C10H16O/c11-10(9-6-7-9)8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKey
HZRHGOMCJOCIPT-UHFFFAOYSA-N
Compound name
cyclohexyl(cyclopropyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

152.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 133.3
[M+Na]+ 175.109338 139.3
[M-H]- 151.112844 140.0
[M+NH4]+ 170.153943 149.2
[M+K]+ 191.083278 137.7
[M+H-H2O]+ 135.117380 126.9
[M+HCOO]- 197.118321 153.2
[M+CH3COO]- 211.133971 179.6
[M+Na-2H]- 173.094786 137.5
[M]+ 152.11957142 130.7
[M]- 152.12066858 130.7
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