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]+ 229.09898 154.1
[M+Na]+ 251.08092 158.2
[M-H]- 227.08442 148.5
[M+NH4]+ 246.12552 181.1
[M+K]+ 267.05486 153.3
[M+H-H2O]+ 211.08896 149.8
[M+HCOO]- 273.08990 155.3
[M+CH3COO]- 287.10555 162.7
[M+Na-2H]- 249.06637 164.3
[M]+ 228.09115 155.7
[M]- 228.09225 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.