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

10
Patents

138.11569 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.12297 129.3
[M+Na]+ 161.10491 137.1
[M-H]- 137.10841 129.7
[M+NH4]+ 156.14951 148.7
[M+K]+ 177.07885 133.8
[M+H-H2O]+ 121.11295 117.5
[M+HCOO]- 183.11389 144.2
[M+CH3COO]- 197.12954 183.6
[M+Na-2H]- 159.09036 135.6
[M]+ 138.11514 119.2
[M]- 138.11624 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