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

47
Patents

123.1048 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.11208 126.5
[M+Na]+ 146.09402 136.0
[M-H]- 122.09752 129.9
[M+NH4]+ 141.13862 150.1
[M+K]+ 162.06796 132.8
[M+H-H2O]+ 106.10206 115.6
[M+HCOO]- 168.10300 146.0
[M+CH3COO]- 182.11865 183.6
[M+Na-2H]- 144.07947 132.2
[M]+ 123.10425 119.7
[M]- 123.10535 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