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

63
Patents

124.10005 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.10733 129.1
[M+Na]+ 147.08927 140.1
[M+NH4]+ 142.13387 134.6
[M+K]+ 163.06321 130.8
[M-H]- 123.09277 123.7
[M+Na-2H]- 145.07472 132.2
[M]+ 124.09950 128.2
[M]- 124.10060 128.2
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