CID 19083714

6-chloro-2,2-dimethylcyclohexan-1-one

Structural Information

Molecular Formula
C8H13ClO
SMILES
CC1(CCCC(C1=O)Cl)C
InChI
InChI=1S/C8H13ClO/c1-8(2)5-3-4-6(9)7(8)10/h6H,3-5H2,1-2H3
InChIKey
YNKHGQCEYPHDPV-UHFFFAOYSA-N
Compound name
6-chloro-2,2-dimethylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

160.06549 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.072766 130.1
[M+Na]+ 183.054708 138.7
[M-H]- 159.058214 133.8
[M+NH4]+ 178.099313 154.2
[M+K]+ 199.028648 135.9
[M+H-H2O]+ 143.062750 127.1
[M+HCOO]- 205.063691 146.6
[M+CH3COO]- 219.079341 176.3
[M+Na-2H]- 181.040156 135.4
[M]+ 160.06494142 129.0
[M]- 160.06603858 129.0
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