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]+ 181.146116 137.8
[M+Na]+ 203.128058 144.6
[M-H]- 179.131564 142.0
[M+NH4]+ 198.172663 157.9
[M+K]+ 219.101998 137.9
[M+H-H2O]+ 163.136100 135.5
[M+HCOO]- 225.137041 160.0
[M+CH3COO]- 239.152691 179.7
[M+Na-2H]- 201.113506 146.5
[M]+ 180.13829142 136.7
[M]- 180.13938858 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.