CID 12815409

(chloromethyl)cyclopentane

Structural Information

Molecular Formula
C6H11Cl
SMILES
C1CCC(C1)CCl
InChI
InChI=1S/C6H11Cl/c7-5-6-3-1-2-4-6/h6H,1-5H2
InChIKey
NQIIILQXTJXSCA-UHFFFAOYSA-N
Compound name
chloromethylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

118.05493 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.06221 124.5
[M+Na]+ 141.04415 131.7
[M-H]- 117.04765 127.4
[M+NH4]+ 136.08875 149.4
[M+K]+ 157.01809 129.2
[M+H-H2O]+ 101.05219 120.3
[M+HCOO]- 163.05313 143.1
[M+CH3COO]- 177.06878 167.3
[M+Na-2H]- 139.02960 129.3
[M]+ 118.05438 122.7
[M]- 118.05548 122.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe