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]+ 218.13062 150.9
[M+Na]+ 240.11256 156.0
[M-H]- 216.11606 153.7
[M+NH4]+ 235.15716 170.2
[M+K]+ 256.08650 153.1
[M+H-H2O]+ 200.12060 146.2
[M+HCOO]- 262.12154 165.4
[M+CH3COO]- 276.13719 191.6
[M+Na-2H]- 238.09801 151.0
[M]+ 217.12279 148.6
[M]- 217.12389 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