CID 5744059

Hexaethylguanidinium bromide

Structural Information

Molecular Formula

C₁₃H₃₀N₃

SMILES

CCN(CC)C(=[N+](CC)CC)N(CC)CC

InChI

InChI=1S/C13H30N3/c1-7-14(8-2)13(15(9-3)10-4)16(11-5)12-6/h7-12H2,1-6H3/q+1

InChIKey

ZSZGLSAHRNYXPR-UHFFFAOYSA-N

Compound name

bis(diethylamino)methylidene-diethylazanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1281
Patents: 228.24397 Da
Monoisotopic Mass: 1.9
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]+	229.25125	162.0
[M+Na]+	251.23319	164.7
[M-H]-	227.23669	165.8
[M+NH4]+	246.27779	181.2
[M+K]+	267.20713	161.2
[M+H-H2O]+	211.24123	157.5
[M+HCOO]-	273.24217	187.0
[M+CH3COO]-	287.25782	204.4
[M+Na-2H]-	249.21864	164.6
[M]+	228.24342	164.3
[M]-	228.24452	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe