CID 79810

2-cyclopentylideneacetonitrile

Structural Information

Molecular Formula
C7H9N
SMILES
C1CCC(=CC#N)C1
InChI
InChI=1S/C7H9N/c8-6-5-7-3-1-2-4-7/h5H,1-4H2
InChIKey
DNAYRSBMBDMJNU-UHFFFAOYSA-N
Compound name
2-cyclopentylideneacetonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

74
Patents

107.0735 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.080776 123.0
[M+Na]+ 130.062718 132.1
[M-H]- 106.066224 126.1
[M+NH4]+ 125.107323 145.2
[M+K]+ 146.036658 129.1
[M+H-H2O]+ 90.070760 111.4
[M+HCOO]- 152.071701 142.8
[M+CH3COO]- 166.087351 179.8
[M+Na-2H]- 128.048166 128.0
[M]+ 107.07295142 114.8
[M]- 107.07404858 114.8
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