CID 2118150

2-chloro-n-(4-methylcyclohexyl)acetamide

Structural Information

Molecular Formula
C9H16ClNO
SMILES
CC1CCC(CC1)NC(=O)CCl
InChI
InChI=1S/C9H16ClNO/c1-7-2-4-8(5-3-7)11-9(12)6-10/h7-8H,2-6H2,1H3,(H,11,12)
InChIKey
IFFSWQPYYXZPOV-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-methylcyclohexyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

189.09204 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09932 140.6
[M+Na]+ 212.08126 151.0
[M+NH4]+ 207.12586 149.5
[M+K]+ 228.05520 144.5
[M-H]- 188.08476 142.8
[M+Na-2H]- 210.06671 145.4
[M]+ 189.09149 142.8
[M]- 189.09259 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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