CID 96167

10125-86-7

Structural Information

Molecular Formula

C₈H₁₇Cl₂N

SMILES

CC(C)(C)N(CCCl)CCCl

InChI

InChI=1S/C8H17Cl2N/c1-8(2,3)11(6-4-9)7-5-10/h4-7H2,1-3H3

InChIKey

BSXSSXPCEVBUSF-UHFFFAOYSA-N

Compound name

N,N-bis(2-chloroethyl)-2-methylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 197.0738 Da
Monoisotopic Mass: 2.4
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]+	198.081076	144.7
[M+Na]+	220.063018	152.1
[M-H]-	196.066524	145.6
[M+NH4]+	215.107623	166.0
[M+K]+	236.036958	149.0
[M+H-H2O]+	180.071060	141.6
[M+HCOO]-	242.072001	158.2
[M+CH3COO]-	256.087651	189.9
[M+Na-2H]-	218.048466	149.4
[M]+	197.07325142	149.2
[M]-	197.07434858	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe