CID 20711133

4-methylpiperidine-4-carbonitrile hydrochloride

Structural Information

Molecular Formula
C7H12N2
SMILES
CC1(CCNCC1)C#N
InChI
InChI=1S/C7H12N2/c1-7(6-8)2-4-9-5-3-7/h9H,2-5H2,1H3
InChIKey
VIXYONLJAGTTOD-UHFFFAOYSA-N
Compound name
4-methylpiperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

243
Patents

124.10005 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.107326 125.5
[M+Na]+ 147.089268 133.7
[M-H]- 123.092774 126.0
[M+NH4]+ 142.133873 145.3
[M+K]+ 163.063208 130.6
[M+H-H2O]+ 107.097310 113.9
[M+HCOO]- 169.098251 140.7
[M+CH3COO]- 183.113901 180.8
[M+Na-2H]- 145.074716 132.3
[M]+ 124.09950142 115.1
[M]- 124.10059858 115.1
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