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
cis-(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]+ 211.088426 146.7
[M+Na]+ 233.070368 154.4
[M-H]- 209.073874 151.8
[M+NH4]+ 228.114973 167.6
[M+K]+ 249.044308 149.1
[M+H-H2O]+ 193.078410 141.6
[M+HCOO]- 255.079351 163.8
[M+CH3COO]- 269.095001 182.1
[M+Na-2H]- 231.055816 148.9
[M]+ 210.08060142 145.4
[M]- 210.08169858 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.