CID 24711841

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

Structural Information

Molecular Formula
C10H18ClNO
SMILES
CC1CCC(CC1)NC(=O)C(C)Cl
InChI
InChI=1S/C10H18ClNO/c1-7-3-5-9(6-4-7)12-10(13)8(2)11/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKey
LLZCJQSORRHCSU-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-methylcyclohexyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.1077 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11498 146.9
[M+Na]+ 226.09692 151.5
[M-H]- 202.10042 149.5
[M+NH4]+ 221.14152 166.5
[M+K]+ 242.07086 148.8
[M+H-H2O]+ 186.10496 142.1
[M+HCOO]- 248.10590 161.7
[M+CH3COO]- 262.12155 187.4
[M+Na-2H]- 224.08237 148.2
[M]+ 203.10715 143.9
[M]- 203.10825 143.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.