CID 52698

2-chloro-2'-iodo-n-methyldiethylamine

Structural Information

Molecular Formula

C₅H₁₁ClIN

SMILES

CN(CCCl)CCI

InChI

InChI=1S/C5H11ClIN/c1-8(4-2-6)5-3-7/h2-5H2,1H3

InChIKey

AJIDEBATCVMFKU-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-iodoethyl)-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 246.96246 Da
Monoisotopic Mass: 2.0
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]+	247.96974	138.1
[M+Na]+	269.95168	138.6
[M-H]-	245.95518	133.0
[M+NH4]+	264.99628	156.1
[M+K]+	285.92562	143.2
[M+H-H2O]+	229.95972	130.5
[M+HCOO]-	291.96066	154.0
[M+CH3COO]-	305.97631	188.0
[M+Na-2H]-	267.93713	131.9
[M]+	246.96191	138.7
[M]-	246.96301	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe