CID 11672974

5-chloro-n-cyclohexylpentanamide

Structural Information

Molecular Formula
C11H20ClNO
SMILES
C1CCC(CC1)NC(=O)CCCCCl
InChI
InChI=1S/C11H20ClNO/c12-9-5-4-8-11(14)13-10-6-2-1-3-7-10/h10H,1-9H2,(H,13,14)
InChIKey
OBOBOCFRZMDIDG-UHFFFAOYSA-N
Compound name
5-chloro-N-cyclohexylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

217.12334 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.13062 151.9
[M+Na]+ 240.11256 155.3
[M-H]- 216.11606 153.8
[M+NH4]+ 235.15716 170.6
[M+K]+ 256.08650 151.8
[M+H-H2O]+ 200.12060 146.3
[M+HCOO]- 262.12154 167.3
[M+CH3COO]- 276.13719 188.4
[M+Na-2H]- 238.09801 154.4
[M]+ 217.12279 149.4
[M]- 217.12389 149.4
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