CID 3831107

1-(3-tert-butyl-4-hydroxybenzyl)-1h-imidazol-3-ium chloride

Structural Information

Molecular Formula
C14H19N2O
SMILES
CC(C)(C)C1=C(C=CC(=C1)C[N+]2=CNC=C2)O
InChI
InChI=1S/C14H18N2O/c1-14(2,3)12-8-11(4-5-13(12)17)9-16-7-6-15-10-16/h4-8,10,17H,9H2,1-3H3/p+1
InChIKey
BASAXQLKZGXFFT-UHFFFAOYSA-O
Compound name
2-tert-butyl-4-(1H-imidazol-3-ium-3-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.14973 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15701 152.5
[M+Na]+ 254.13895 167.0
[M+NH4]+ 249.18355 160.9
[M+K]+ 270.11289 163.5
[M-H]- 230.14245 155.8
[M+Na-2H]- 252.12440 160.4
[M]+ 231.14918 155.9
[M]- 231.15028 155.9
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

No patent data available for this compound.