CID 81483

7006-60-2

Structural Information

Molecular Formula

C₁₃H₂₂NO₃

SMILES

C1=CC=C(C=C1)C[N+](CCO)(CCO)CCO

InChI

InChI=1S/C13H22NO3/c15-9-6-14(7-10-16,8-11-17)12-13-4-2-1-3-5-13/h1-5,15-17H,6-12H2/q+1

InChIKey

ICKBRCHQAVDCOR-UHFFFAOYSA-N

Compound name

benzyl-tris(2-hydroxyethyl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 227
Patents: 240.15997 Da
Monoisotopic Mass: -0.3
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]+	241.16725	154.0
[M+Na]+	263.14919	165.4
[M+NH4]+	258.19379	161.8
[M+K]+	279.12313	160.4
[M-H]-	239.15269	156.3
[M+Na-2H]-	261.13464	160.0
[M]+	240.15942	156.4
[M]-	240.16052	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe