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 141.2
[M+Na]+ 233.16244 148.5
[M-H]- 209.16594 147.3
[M+NH4]+ 228.20704 160.7
[M+K]+ 249.13638 136.9
[M+H-H2O]+ 193.17048 141.7
[M+HCOO]- 255.17142 164.3
[M+CH3COO]- 269.18707 185.2
[M+Na-2H]- 231.14789 154.3
[M]+ 210.17267 140.4
[M]- 210.17377 140.4
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.