CID 12859571

1-ethylcyclopentane-1-carbonitrile

Structural Information

Molecular Formula
C8H13N
SMILES
CCC1(CCCC1)C#N
InChI
InChI=1S/C8H13N/c1-2-8(7-9)5-3-4-6-8/h2-6H2,1H3
InChIKey
BKMKLODHNSECBK-UHFFFAOYSA-N
Compound name
1-ethylcyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

123.1048 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.112076 126.5
[M+Na]+ 146.094018 136.0
[M-H]- 122.097524 129.9
[M+NH4]+ 141.138623 150.1
[M+K]+ 162.067958 132.8
[M+H-H2O]+ 106.102060 115.6
[M+HCOO]- 168.103001 146.0
[M+CH3COO]- 182.118651 183.6
[M+Na-2H]- 144.079466 132.2
[M]+ 123.10425142 119.7
[M]- 123.10534858 119.7
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