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

45
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 127.1
[M+Na]+ 146.09402 137.0
[M+NH4]+ 141.13862 134.3
[M+K]+ 162.06796 127.6
[M-H]- 122.09752 121.6
[M+Na-2H]- 144.07947 131.3
[M]+ 123.10425 126.2
[M]- 123.10535 126.2
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