CID 126971346

3-(azidomethyl)piperidine hydrochloride

Structural Information

Molecular Formula

C₆H₁₂N₄

SMILES

C1CC(CNC1)CN=[N+]=[N-]

InChI

InChI=1S/C6H12N4/c7-10-9-5-6-2-1-3-8-4-6/h6,8H,1-5H2

InChIKey

FBILVWGTLWCYPU-UHFFFAOYSA-N

Compound name

3-(azidomethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 140.1062 Da
Monoisotopic Mass: 1.4
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]+	141.11348	126.9
[M+Na]+	163.09542	130.7
[M-H]-	139.09892	129.5
[M+NH4]+	158.14002	146.2
[M+K]+	179.06936	125.3
[M+H-H2O]+	123.10346	124.4
[M+HCOO]-	185.10440	152.2
[M+CH3COO]-	199.12005	173.3
[M+Na-2H]-	161.08087	137.0
[M]+	140.10565	118.2
[M]-	140.10675	118.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe