CID 81483

Benzyl tris(2-hydroxyethyl) ammonium chloride

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

275
Patents

240.15997 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16725 155.3
[M+Na]+ 263.14919 159.3
[M-H]- 239.15269 155.6
[M+NH4]+ 258.19379 171.0
[M+K]+ 279.12313 150.7
[M+H-H2O]+ 223.15723 152.0
[M+HCOO]- 285.15817 175.1
[M+CH3COO]- 299.17382 182.6
[M+Na-2H]- 261.13464 163.9
[M]+ 240.15942 154.2
[M]- 240.16052 154.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe