CID 58749616

4-(cyclopropylmethyl)cyclohexan-1-one

Structural Information

Molecular Formula
C10H16O
SMILES
C1CC1CC2CCC(=O)CC2
InChI
InChI=1S/C10H16O/c11-10-5-3-9(4-6-10)7-8-1-2-8/h8-9H,1-7H2
InChIKey
NHBZEMRMJASWAX-UHFFFAOYSA-N
Compound name
4-(cyclopropylmethyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

152.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 133.3
[M+Na]+ 175.109338 140.4
[M-H]- 151.112844 140.2
[M+NH4]+ 170.153943 149.5
[M+K]+ 191.083278 138.3
[M+H-H2O]+ 135.117380 126.9
[M+HCOO]- 197.118321 154.1
[M+CH3COO]- 211.133971 179.8
[M+Na-2H]- 173.094786 138.0
[M]+ 152.11957142 131.7
[M]- 152.12066858 131.7
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