CID 77935

Cyclopentanecarbonitrile

Structural Information

Molecular Formula
C6H9N
SMILES
C1CCC(C1)C#N
InChI
InChI=1S/C6H9N/c7-5-6-3-1-2-4-6/h6H,1-4H2
InChIKey
SVPZJHKVRMRREG-UHFFFAOYSA-N
Compound name
cyclopentanecarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3763
Patents

95.0735 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.080776 118.5
[M+Na]+ 118.062718 127.7
[M-H]- 94.066224 121.7
[M+NH4]+ 113.107323 141.1
[M+K]+ 134.036658 125.5
[M+H-H2O]+ 78.070760 107.1
[M+HCOO]- 140.071701 138.5
[M+CH3COO]- 154.087351 178.5
[M+Na-2H]- 116.048166 124.1
[M]+ 95.07295142 110.7
[M]- 95.07404858 110.7
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