CID 222397

2-chloro-n,n-dicyclohexyl-acetamide

Structural Information

Molecular Formula
C14H24ClNO
SMILES
C1CCC(CC1)N(C2CCCCC2)C(=O)CCl
InChI
InChI=1S/C14H24ClNO/c15-11-14(17)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-13H,1-11H2
InChIKey
YMBSJQHEFLROIX-UHFFFAOYSA-N
Compound name
2-chloro-N,N-dicyclohexylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

257.15463 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.16191 163.0
[M+Na]+ 280.14385 163.5
[M-H]- 256.14735 168.3
[M+NH4]+ 275.18845 179.9
[M+K]+ 296.11779 160.6
[M+H-H2O]+ 240.15189 155.8
[M+HCOO]- 302.15283 175.0
[M+CH3COO]- 316.16848 197.6
[M+Na-2H]- 278.12930 162.7
[M]+ 257.15408 156.1
[M]- 257.15518 156.1
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