CID 706143

2-cyano-n-cyclohexylacetamide

Structural Information

Molecular Formula
C9H14N2O
SMILES
C1CCC(CC1)NC(=O)CC#N
InChI
InChI=1S/C9H14N2O/c10-7-6-9(12)11-8-4-2-1-3-5-8/h8H,1-6H2,(H,11,12)
InChIKey
RURWLUVLDBYUEN-UHFFFAOYSA-N
Compound name
2-cyano-N-cyclohexylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

166.11061 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.11789 137.6
[M+Na]+ 189.09983 143.7
[M-H]- 165.10333 140.0
[M+NH4]+ 184.14443 155.4
[M+K]+ 205.07377 141.4
[M+H-H2O]+ 149.10787 125.3
[M+HCOO]- 211.10881 155.0
[M+CH3COO]- 225.12446 192.2
[M+Na-2H]- 187.08528 141.7
[M]+ 166.11006 128.0
[M]- 166.11116 128.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe