CID 199610

N-(1-cyanocyclohexyl)acetamide

Structural Information

Molecular Formula
C9H14N2O
SMILES
CC(=O)NC1(CCCCC1)C#N
InChI
InChI=1S/C9H14N2O/c1-8(12)11-9(7-10)5-3-2-4-6-9/h2-6H2,1H3,(H,11,12)
InChIKey
HJKUYXOMJJUMLV-UHFFFAOYSA-N
Compound name
N-(1-cyanocyclohexyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

166.11061 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.11789 138.2
[M+Na]+ 189.09983 145.5
[M-H]- 165.10333 141.2
[M+NH4]+ 184.14443 158.0
[M+K]+ 205.07377 142.8
[M+H-H2O]+ 149.10787 126.9
[M+HCOO]- 211.10881 155.7
[M+CH3COO]- 225.12446 191.8
[M+Na-2H]- 187.08528 143.4
[M]+ 166.11006 129.0
[M]- 166.11116 129.0
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