CID 158452

Ethyldimethylpropylammonium bromide

Structural Information

Molecular Formula

C₇H₁₈N

SMILES

CCC[N+](C)(C)CC

InChI

InChI=1S/C7H18N/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3/q+1

InChIKey

ZOZZQPFBMNNPPO-UHFFFAOYSA-N

Compound name

ethyl-dimethyl-propylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2139
Patents: 116.14392 Da
Monoisotopic Mass: 1.5
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]+	117.15120	123.3
[M+Na]+	139.13314	130.3
[M-H]-	115.13664	125.5
[M+NH4]+	134.17774	146.9
[M+K]+	155.10708	125.6
[M+H-H2O]+	99.141180	122.2
[M+HCOO]-	161.14212	147.4
[M+CH3COO]-	175.15777	171.8
[M+Na-2H]-	137.11859	133.8
[M]+	116.14337	124.0
[M]-	116.14447	124.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe