CID 131143619

5-methylpiperidine-3-carbonitrile

Structural Information

Molecular Formula
C7H12N2
SMILES
CC1CC(CNC1)C#N
InChI
InChI=1S/C7H12N2/c1-6-2-7(3-8)5-9-4-6/h6-7,9H,2,4-5H2,1H3
InChIKey
KLKXWOZRCZWLNA-UHFFFAOYSA-N
Compound name
5-methylpiperidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 124.6
[M+Na]+ 147.089268 132.5
[M-H]- 123.092774 125.0
[M+NH4]+ 142.133873 142.9
[M+K]+ 163.063208 129.9
[M+H-H2O]+ 107.097310 112.5
[M+HCOO]- 169.098251 139.7
[M+CH3COO]- 183.113901 182.2
[M+Na-2H]- 145.074716 129.9
[M]+ 124.09950142 114.2
[M]- 124.10059858 114.2
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