CID 1518777

2-chloro-n-cyclopentylacetamide

Structural Information

Molecular Formula
C7H12ClNO
SMILES
C1CCC(C1)NC(=O)CCl
InChI
InChI=1S/C7H12ClNO/c8-5-7(10)9-6-3-1-2-4-6/h6H,1-5H2,(H,9,10)
InChIKey
SQWLIYWNXLKVGA-UHFFFAOYSA-N
Compound name
2-chloro-N-cyclopentylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

54
Patents

161.06075 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06803 135.8
[M+Na]+ 184.04997 141.8
[M-H]- 160.05347 138.6
[M+NH4]+ 179.09457 158.5
[M+K]+ 200.02391 139.1
[M+H-H2O]+ 144.05801 131.0
[M+HCOO]- 206.05895 154.5
[M+CH3COO]- 220.07460 176.1
[M+Na-2H]- 182.03542 139.1
[M]+ 161.06020 133.7
[M]- 161.06130 133.7
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