CID 84399

3,3,5,5-tetramethylcyclohexanone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

830
Patents

154.13577 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe