CID 131143619

1374744-16-7

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

0
Patents

124.10005 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.10733 124.6
[M+Na]+ 147.08927 132.5
[M-H]- 123.09277 125.0
[M+NH4]+ 142.13387 142.9
[M+K]+ 163.06321 129.9
[M+H-H2O]+ 107.09731 112.5
[M+HCOO]- 169.09825 139.7
[M+CH3COO]- 183.11390 182.2
[M+Na-2H]- 145.07472 129.9
[M]+ 124.09950 114.2
[M]- 124.10060 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

No patent data available for this compound.