CID 18941139

1-methylpiperidine-3-carbonitrile

Structural Information

Molecular Formula
C7H12N2
SMILES
CN1CCCC(C1)C#N
InChI
InChI=1S/C7H12N2/c1-9-4-2-3-7(5-8)6-9/h7H,2-4,6H2,1H3
InChIKey
JYOKDJPITDWCEZ-UHFFFAOYSA-N
Compound name
1-methylpiperidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

124.10005 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.107326 122.8
[M+Na]+ 147.089268 131.1
[M-H]- 123.092774 124.5
[M+NH4]+ 142.133873 141.7
[M+K]+ 163.063208 129.3
[M+H-H2O]+ 107.097310 110.5
[M+HCOO]- 169.098251 139.3
[M+CH3COO]- 183.113901 184.7
[M+Na-2H]- 145.074716 128.7
[M]+ 124.09950142 114.1
[M]- 124.10059858 114.1
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