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

73
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 122.8
[M+Na]+ 147.08927 131.1
[M-H]- 123.09277 124.5
[M+NH4]+ 142.13387 141.7
[M+K]+ 163.06321 129.3
[M+H-H2O]+ 107.09731 110.5
[M+HCOO]- 169.09825 139.3
[M+CH3COO]- 183.11390 184.7
[M+Na-2H]- 145.07472 128.7
[M]+ 124.09950 114.1
[M]- 124.10060 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