CID 549806

1-(2,2-dimethylcyclohexyl)ethanone

Structural Information

Molecular Formula
C10H18O
SMILES
CC(=O)C1CCCCC1(C)C
InChI
InChI=1S/C10H18O/c1-8(11)9-6-4-5-7-10(9,2)3/h9H,4-7H2,1-3H3
InChIKey
VXHOFFZAGUMFCK-UHFFFAOYSA-N
Compound name
1-(2,2-dimethylcyclohexyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

154.13577 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 134.5
[M+Na]+ 177.124988 140.3
[M-H]- 153.128494 137.7
[M+NH4]+ 172.169593 157.6
[M+K]+ 193.098928 139.6
[M+H-H2O]+ 137.133030 130.2
[M+HCOO]- 199.133971 153.8
[M+CH3COO]- 213.149621 178.2
[M+Na-2H]- 175.110436 138.5
[M]+ 154.13522142 131.2
[M]- 154.13631858 131.2
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