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]+ 161.07277 130.1
[M+Na]+ 183.05471 138.7
[M-H]- 159.05821 133.8
[M+NH4]+ 178.09931 154.2
[M+K]+ 199.02865 135.9
[M+H-H2O]+ 143.06275 127.1
[M+HCOO]- 205.06369 146.6
[M+CH3COO]- 219.07934 176.3
[M+Na-2H]- 181.04016 135.4
[M]+ 160.06494 129.0
[M]- 160.06604 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