CID 3069744

Brn 2351799

Structural Information

Molecular Formula

C₈H₁₈Cl₂N₂O₂

SMILES

C(CNCC(CCl)O)NCC(CCl)O

InChI

InChI=1S/C8H18Cl2N2O2/c9-3-7(13)5-11-1-2-12-6-8(14)4-10/h7-8,11-14H,1-6H2

InChIKey

CZJWCCGENCEFPM-UHFFFAOYSA-N

Compound name

1-chloro-3-[2-[(3-chloro-2-hydroxypropyl)amino]ethylamino]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 244.07454 Da
Monoisotopic Mass: -0.7
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]+	245.08182	153.6
[M+Na]+	267.06376	158.0
[M-H]-	243.06726	150.0
[M+NH4]+	262.10836	170.2
[M+K]+	283.03770	153.4
[M+H-H2O]+	227.07180	150.2
[M+HCOO]-	289.07274	165.0
[M+CH3COO]-	303.08839	192.0
[M+Na-2H]-	265.04921	155.3
[M]+	244.07399	154.6
[M]-	244.07509	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe