CID 51824

73599-90-3

Structural Information

Molecular Formula
C12H17ClO2
SMILES
C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)CO
InChI
InChI=1S/C12H17ClO2/c13-12-4-8-1-9(5-12)3-11(2-8,7-12)10(15)6-14/h8-9,14H,1-7H2
InChIKey
DWOFXJGPHBNHFE-UHFFFAOYSA-N
Compound name
1-(3-chloro-1-adamantyl)-2-hydroxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.0917 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.098976 154.1
[M+Na]+ 251.080918 158.2
[M-H]- 227.084424 148.5
[M+NH4]+ 246.125523 181.1
[M+K]+ 267.054858 153.3
[M+H-H2O]+ 211.088960 149.8
[M+HCOO]- 273.089901 155.3
[M+CH3COO]- 287.105551 162.7
[M+Na-2H]- 249.066366 164.3
[M]+ 228.09115142 155.7
[M]- 228.09224858 155.7
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.