CID 127841

2,6-bis(iodomethyl)piperidine hydrochloride

Structural Information

Molecular Formula

C₇H₁₃I₂N

SMILES

C1CC(NC(C1)CI)CI

InChI

InChI=1S/C7H13I2N/c8-4-6-2-1-3-7(5-9)10-6/h6-7,10H,1-5H2

InChIKey

LCOAJPZNYAHLLB-UHFFFAOYSA-N

Compound name

2,6-bis(iodomethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 364.91373 Da
Monoisotopic Mass: 3.0
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]+	365.92101	141.3
[M+Na]+	387.90295	132.5
[M-H]-	363.90645	130.0
[M+NH4]+	382.94755	149.6
[M+K]+	403.87689	142.1
[M+H-H2O]+	347.91099	129.7
[M+HCOO]-	409.91193	148.5
[M+CH3COO]-	423.92758	197.8
[M+Na-2H]-	385.88840	128.3
[M]+	364.91318	132.0
[M]-	364.91428	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.