CID 71692396

4-ethylpiperidine-4-carbonitrile hydrochloride

Structural Information

Molecular Formula
C8H14N2
SMILES
CCC1(CCNCC1)C#N
InChI
InChI=1S/C8H14N2/c1-2-8(7-9)3-5-10-6-4-8/h10H,2-6H2,1H3
InChIKey
RDTAATZMSHBUDM-UHFFFAOYSA-N
Compound name
4-ethylpiperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

138.11569 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.122966 129.3
[M+Na]+ 161.104908 137.1
[M-H]- 137.108414 129.7
[M+NH4]+ 156.149513 148.7
[M+K]+ 177.078848 133.8
[M+H-H2O]+ 121.112950 117.5
[M+HCOO]- 183.113891 144.2
[M+CH3COO]- 197.129541 183.6
[M+Na-2H]- 159.090356 135.6
[M]+ 138.11514142 119.2
[M]- 138.11623858 119.2
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