CID 4455752

207915-99-9

Structural Information

Molecular Formula

C₅H₁₂ClN₂

SMILES

CN(C)C(=[N+](C)C)Cl

InChI

InChI=1S/C5H12ClN2/c1-7(2)5(6)8(3)4/h1-4H3/q+1

InChIKey

QZFWNEASXBNLCD-UHFFFAOYSA-N

Compound name

[chloro(dimethylamino)methylidene]-dimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 717
Patents: 135.06891 Da
Monoisotopic Mass: 0.9
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]+	136.07619	126.0
[M+Na]+	158.05813	133.2
[M-H]-	134.06163	129.6
[M+NH4]+	153.10273	149.3
[M+K]+	174.03207	128.4
[M+H-H2O]+	118.06617	124.9
[M+HCOO]-	180.06711	147.7
[M+CH3COO]-	194.08276	176.5
[M+Na-2H]-	156.04358	133.0
[M]+	135.06836	126.9
[M]-	135.06946	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe