CID 122163268

3-methyl-6-oxopiperidine-3-carbonitrile

Structural Information

Molecular Formula
C7H10N2O
SMILES
CC1(CCC(=O)NC1)C#N
InChI
InChI=1S/C7H10N2O/c1-7(4-8)3-2-6(10)9-5-7/h2-3,5H2,1H3,(H,9,10)
InChIKey
BBDKTWRDZSLWAA-UHFFFAOYSA-N
Compound name
3-methyl-6-oxopiperidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.07932 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 127.2
[M+Na]+ 161.06854 136.4
[M-H]- 137.07204 128.1
[M+NH4]+ 156.11314 146.7
[M+K]+ 177.04248 133.3
[M+H-H2O]+ 121.07658 115.9
[M+HCOO]- 183.07752 142.8
[M+CH3COO]- 197.09317 182.8
[M+Na-2H]- 159.05399 133.4
[M]+ 138.07877 117.8
[M]- 138.07987 117.8
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.