CID 12433246

66374-57-0

Structural Information

Molecular Formula
C12H17ClO
SMILES
C1C2CC3CC1CC(C2)C3C(=O)CCl
InChI
InChI=1S/C12H17ClO/c13-6-11(14)12-9-2-7-1-8(4-9)5-10(12)3-7/h7-10,12H,1-6H2
InChIKey
WUXSRMLAJVUFRA-UHFFFAOYSA-N
Compound name
1-(2-adamantyl)-2-chloroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.09679 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10407 148.9
[M+Na]+ 235.08601 151.8
[M-H]- 211.08951 144.3
[M+NH4]+ 230.13061 173.5
[M+K]+ 251.05995 147.7
[M+H-H2O]+ 195.09405 144.8
[M+HCOO]- 257.09499 151.5
[M+CH3COO]- 271.11064 157.8
[M+Na-2H]- 233.07146 157.1
[M]+ 212.09624 150.3
[M]- 212.09734 150.3
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

No patent data available for this compound.