CID 45795

(3-hydroxyphenyl)isopropyldimethylammonium iodide

Structural Information

Molecular Formula
C11H18NO
SMILES
CC(C)[N+](C)(C)C1=CC(=CC=C1)O
InChI
InChI=1S/C11H17NO/c1-9(2)12(3,4)10-6-5-7-11(13)8-10/h5-9H,1-4H3/p+1
InChIKey
YIOWSJYUSNDTRQ-UHFFFAOYSA-O
Compound name
(3-hydroxyphenyl)-dimethyl-propan-2-ylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.13884 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.14612 137.8
[M+Na]+ 203.12806 144.6
[M-H]- 179.13156 142.0
[M+NH4]+ 198.17266 157.9
[M+K]+ 219.10200 137.9
[M+H-H2O]+ 163.13610 135.5
[M+HCOO]- 225.13704 160.0
[M+CH3COO]- 239.15269 179.7
[M+Na-2H]- 201.11351 146.5
[M]+ 180.13829 136.7
[M]- 180.13939 136.7
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.