CID 4987902

2-chloro-n-(2,3-dimethylcyclohexyl)propanamide

Structural Information

Molecular Formula
C11H20ClNO
SMILES
CC1CCCC(C1C)NC(=O)C(C)Cl
InChI
InChI=1S/C11H20ClNO/c1-7-5-4-6-10(8(7)2)13-11(14)9(3)12/h7-10H,4-6H2,1-3H3,(H,13,14)
InChIKey
NIRDDXXHNBLIBQ-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,3-dimethylcyclohexyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

217.12334 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.130616 150.9
[M+Na]+ 240.112558 156.0
[M-H]- 216.116064 153.7
[M+NH4]+ 235.157163 170.2
[M+K]+ 256.086498 153.1
[M+H-H2O]+ 200.120600 146.2
[M+HCOO]- 262.121541 165.4
[M+CH3COO]- 276.137191 191.6
[M+Na-2H]- 238.098006 151.0
[M]+ 217.12279142 148.6
[M]- 217.12388858 148.6
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

patents stripe