CID 165758593

2-chloro-n-(1-cyanoethyl)-n-cyclohexylacetamide

Structural Information

Molecular Formula
C11H17ClN2O
SMILES
CC(C#N)N(C1CCCCC1)C(=O)CCl
InChI
InChI=1S/C11H17ClN2O/c1-9(8-13)14(11(15)7-12)10-5-3-2-4-6-10/h9-10H,2-7H2,1H3
InChIKey
LBGUSONZNLQDHN-UHFFFAOYSA-N
Compound name
2-chloro-N-(1-cyanoethyl)-N-cyclohexylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.10294 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.11022 152.7
[M+Na]+ 251.09216 158.9
[M-H]- 227.09566 156.1
[M+NH4]+ 246.13676 169.7
[M+K]+ 267.06610 155.7
[M+H-H2O]+ 211.10020 140.8
[M+HCOO]- 273.10114 165.1
[M+CH3COO]- 287.11679 204.9
[M+Na-2H]- 249.07761 153.6
[M]+ 228.10239 146.2
[M]- 228.10349 146.2
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.