CID 419362

(3-aminopropyl)(2-bromoethyl)amine dihydrobromide

Structural Information

Molecular Formula

C₅H₁₃BrN₂

SMILES

C(CN)CNCCBr

InChI

InChI=1S/C5H13BrN2/c6-2-5-8-4-1-3-7/h8H,1-5,7H2

InChIKey

PGVLVMINWPCNCD-UHFFFAOYSA-N

Compound name

N'-(2-bromoethyl)propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 180.02621 Da
Monoisotopic Mass: 0.0
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]+	181.03349	132.8
[M+Na]+	203.01543	141.9
[M-H]-	179.01893	134.9
[M+NH4]+	198.06003	155.2
[M+K]+	218.98937	131.0
[M+H-H2O]+	163.02347	131.8
[M+HCOO]-	225.02441	155.3
[M+CH3COO]-	239.04006	183.7
[M+Na-2H]-	201.00088	140.4
[M]+	180.02566	149.1
[M]-	180.02676	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe