CID 12824145

1-(adamantan-1-yl)-2-chloroethan-1-one

Structural Information

Molecular Formula
C12H17ClO
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)CCl
InChI
InChI=1S/C12H17ClO/c13-7-11(14)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2
InChIKey
LOCZPXWXTBYAPF-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-2-chloroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

212.09679 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10407 149.9
[M+Na]+ 235.08601 153.2
[M-H]- 211.08951 145.3
[M+NH4]+ 230.13061 176.2
[M+K]+ 251.05995 148.7
[M+H-H2O]+ 195.09405 145.2
[M+HCOO]- 257.09499 152.5
[M+CH3COO]- 271.11064 158.8
[M+Na-2H]- 233.07146 159.4
[M]+ 212.09624 151.2
[M]- 212.09734 151.2
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