CID 155978173

4-(aminomethyl)piperidine-1-carbonitrile dihydrochloride

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

C1CN(CCC1CN)C#N

InChI

InChI=1S/C7H13N3/c8-5-7-1-3-10(6-9)4-2-7/h7H,1-5,8H2

InChIKey

HBEPUKGCKLXVLQ-UHFFFAOYSA-N

Compound name

4-(aminomethyl)piperidine-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 139.11095 Da
Monoisotopic Mass: 0.3
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	134.3
[M+Na]+	162.10017	143.8
[M+NH4]+	157.14477	139.2
[M+K]+	178.07411	135.0
[M-H]-	138.10367	128.9
[M+Na-2H]-	160.08562	136.6
[M]+	139.11040	133.0
[M]-	139.11150	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe