CID 46031

Ammonium, (4-hydroxy-o-cumenyl)trimethyl-, iodide

Structural Information

Molecular Formula
C12H20NO
SMILES
CC(C)C1=C(C=CC(=C1)O)[N+](C)(C)C
InChI
InChI=1S/C12H19NO/c1-9(2)11-8-10(14)6-7-12(11)13(3,4)5/h6-9H,1-5H3/p+1
InChIKey
LHQBJZSBMYJOFB-UHFFFAOYSA-O
Compound name
(4-hydroxy-2-propan-2-ylphenyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

194.1545 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.16178 141.6
[M+Na]+ 217.14372 148.9
[M-H]- 193.14722 146.0
[M+NH4]+ 212.18832 161.5
[M+K]+ 233.11766 142.0
[M+H-H2O]+ 177.15176 139.3
[M+HCOO]- 239.15270 163.5
[M+CH3COO]- 253.16835 183.9
[M+Na-2H]- 215.12917 149.1
[M]+ 194.15395 141.3
[M]- 194.15505 141.3
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.