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

13
Patents

152.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 133.3
[M+Na]+ 175.10934 140.4
[M-H]- 151.11284 140.2
[M+NH4]+ 170.15394 149.5
[M+K]+ 191.08328 138.3
[M+H-H2O]+ 135.11738 126.9
[M+HCOO]- 197.11832 154.1
[M+CH3COO]- 211.13397 179.8
[M+Na-2H]- 173.09479 138.0
[M]+ 152.11957 131.7
[M]- 152.12067 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