CID 47045

Ammonium, 5-hydroxy-m-phenylenebis(trimethyl-, dichloride

Structural Information

Molecular Formula
C12H22N2O
SMILES
C[N+](C)(C)C1=CC(=CC(=C1)O)[N+](C)(C)C
InChI
InChI=1S/C12H21N2O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,1-6H3/q+1/p+1
InChIKey
OJUJUGCKJGGXQE-UHFFFAOYSA-O
Compound name
[3-hydroxy-5-(trimethylazaniumyl)phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.17322 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.18050 145.0
[M+Na]+ 233.16244 160.5
[M+NH4]+ 228.20704 155.9
[M+K]+ 249.13638 156.2
[M-H]- 209.16594 151.6
[M+Na-2H]- 231.14789 154.4
[M]+ 210.17267 150.0
[M]- 210.17377 150.0
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.