CID 32369

619-34-1

Structural Information

Molecular Formula

C₇H₁₅Cl₂N

SMILES

CC(C)N(CCCl)CCCl

InChI

InChI=1S/C7H15Cl2N/c1-7(2)10(5-3-8)6-4-9/h7H,3-6H2,1-2H3

InChIKey

WAEDMQMDOHQPFL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 156
Patents: 183.05815 Da
Monoisotopic Mass: 2.2
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]+	184.065426	139.8
[M+Na]+	206.047368	146.8
[M-H]-	182.050874	140.6
[M+NH4]+	201.091973	161.4
[M+K]+	222.021308	144.1
[M+H-H2O]+	166.055410	136.5
[M+HCOO]-	228.056351	154.2
[M+CH3COO]-	242.072001	188.1
[M+Na-2H]-	204.032816	143.3
[M]+	183.05760142	143.9
[M]-	183.05869858	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe