CID 25772

Ammonium, benzyldimethyl(2-hydroxyethyl)-

Structural Information

Molecular Formula
C11H18NO
SMILES
C[N+](C)(CCO)CC1=CC=CC=C1
InChI
InChI=1S/C11H18NO/c1-12(2,8-9-13)10-11-6-4-3-5-7-11/h3-7,13H,8-10H2,1-2H3/q+1
InChIKey
NEUNOKQNYOCZNP-UHFFFAOYSA-N
Compound name
benzyl-(2-hydroxyethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

836
Patents

180.13884 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.146116 139.0
[M+Na]+ 203.128058 145.1
[M-H]- 179.131564 142.7
[M+NH4]+ 198.172663 158.9
[M+K]+ 219.101998 137.8
[M+H-H2O]+ 163.136100 136.2
[M+HCOO]- 225.137041 162.2
[M+CH3COO]- 239.152691 177.9
[M+Na-2H]- 201.113506 149.5
[M]+ 180.13829142 138.2
[M]- 180.13938858 138.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe