CID 11434991

4-amino-1-methylpiperidine-4-carbonitrile

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CN1CCC(CC1)(C#N)N

InChI

InChI=1S/C7H13N3/c1-10-4-2-7(9,6-8)3-5-10/h2-5,9H2,1H3

InChIKey

HUTRESLXFRPBOW-UHFFFAOYSA-N

Compound name

4-amino-1-methylpiperidine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 117
Patents: 139.11095 Da
Monoisotopic Mass: -0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	140.11823	132.0
[M+Na]+	162.10017	141.7
[M+NH4]+	157.14477	138.2
[M+K]+	178.07411	131.6
[M-H]-	138.10367	126.6
[M+Na-2H]-	160.08562	135.8
[M]+	139.11040	130.9
[M]-	139.11150	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe