CID 93964950

2260937-76-4

Structural Information

Molecular Formula
C12H15ClO
SMILES
C1C[C@H]([C@@H](C1)O)CC2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H15ClO/c13-11-5-1-3-9(8-11)7-10-4-2-6-12(10)14/h1,3,5,8,10,12,14H,2,4,6-7H2/t10-,12+/m0/s1
InChIKey
YODOSUXIFIKCCI-CMPLNLGQSA-N
Compound name
(1R,2S)-2-[(3-chlorophenyl)methyl]cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.08115 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08843 146.7
[M+Na]+ 233.07037 154.4
[M-H]- 209.07387 151.8
[M+NH4]+ 228.11497 167.6
[M+K]+ 249.04431 149.1
[M+H-H2O]+ 193.07841 141.6
[M+HCOO]- 255.07935 163.8
[M+CH3COO]- 269.09500 182.1
[M+Na-2H]- 231.05582 148.9
[M]+ 210.08060 145.4
[M]- 210.08170 145.4
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.