CID 2724017

80866-79-1

Structural Information

Molecular Formula
C12H15ClO
SMILES
C1CCC(C1)(CO)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H15ClO/c13-11-5-3-10(4-6-11)12(9-14)7-1-2-8-12/h3-6,14H,1-2,7-9H2
InChIKey
JPVGEFSYKNYYAU-UHFFFAOYSA-N
Compound name
[1-(4-chlorophenyl)cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

210.08115 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.088426 146.6
[M+Na]+ 233.070368 154.3
[M-H]- 209.073874 151.7
[M+NH4]+ 228.114973 169.2
[M+K]+ 249.044308 149.1
[M+H-H2O]+ 193.078410 141.8
[M+HCOO]- 255.079351 163.7
[M+CH3COO]- 269.095001 180.5
[M+Na-2H]- 231.055816 150.5
[M]+ 210.08060142 145.1
[M]- 210.08169858 145.1
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

patents stripe