CID 11469301

2-(2-methylpropanoyl)cyclohexan-1-one

Structural Information

Molecular Formula
C10H16O2
SMILES
CC(C)C(=O)C1CCCCC1=O
InChI
InChI=1S/C10H16O2/c1-7(2)10(12)8-5-3-4-6-9(8)11/h7-8H,3-6H2,1-2H3
InChIKey
PFOYYSGBGILOQZ-UHFFFAOYSA-N
Compound name
2-(2-methylpropanoyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

771
Patents

168.11504 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 137.0
[M+Na]+ 191.104258 141.9
[M-H]- 167.107764 139.9
[M+NH4]+ 186.148863 157.3
[M+K]+ 207.078198 141.3
[M+H-H2O]+ 151.112300 131.8
[M+HCOO]- 213.113241 155.8
[M+CH3COO]- 227.128891 180.6
[M+Na-2H]- 189.089706 138.7
[M]+ 168.11449142 133.6
[M]- 168.11558858 133.6
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