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

79
Patents

154.13577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 130.9
[M+Na]+ 177.124988 138.8
[M-H]- 153.128494 134.9
[M+NH4]+ 172.169593 156.5
[M+K]+ 193.098928 138.0
[M+H-H2O]+ 137.133030 127.7
[M+HCOO]- 199.133971 151.3
[M+CH3COO]- 213.149621 178.2
[M+Na-2H]- 175.110436 137.0
[M]+ 154.13522142 129.1
[M]- 154.13631858 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