CID 14812417

2,2,5,5-tetramethylcyclohexanone

Structural Information

Molecular Formula
C10H18O
SMILES
CC1(CCC(C(=O)C1)(C)C)C
InChI
InChI=1S/C10H18O/c1-9(2)5-6-10(3,4)8(11)7-9/h5-7H2,1-4H3
InChIKey
RVCYFEYJEAXCIZ-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

154.13577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 130.9
[M+Na]+ 177.12499 138.8
[M-H]- 153.12849 134.9
[M+NH4]+ 172.16959 156.5
[M+K]+ 193.09893 138.0
[M+H-H2O]+ 137.13303 127.7
[M+HCOO]- 199.13397 151.3
[M+CH3COO]- 213.14962 178.2
[M+Na-2H]- 175.11044 137.0
[M]+ 154.13522 129.1
[M]- 154.13632 129.1
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