CID 167717901

4-(3h-diazirin-3-yl)piperidine hydrochloride

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

C1CNCCC1C2N=N2

InChI

InChI=1S/C6H11N3/c1-3-7-4-2-5(1)6-8-9-6/h5-7H,1-4H2

InChIKey

MVRQXFNLMWLLSK-UHFFFAOYSA-N

Compound name

4-(3H-diazirin-3-yl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 125.0953 Da
Monoisotopic Mass: 0.6
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]+	126.10258	135.7
[M+Na]+	148.08452	144.1
[M-H]-	124.08802	137.2
[M+NH4]+	143.12912	148.1
[M+K]+	164.05846	140.7
[M+H-H2O]+	108.09256	127.0
[M+HCOO]-	170.09350	153.6
[M+CH3COO]-	184.10915	146.9
[M+Na-2H]-	146.06997	142.5
[M]+	125.09475	132.3
[M]-	125.09585	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.