CID 3064892

105996-40-5

Structural Information

Molecular Formula
C16H28NO2
SMILES
CC1=C(C(=CC=C1)C)OCC(C[N+](C)(C)C(C)C)O
InChI
InChI=1S/C16H28NO2/c1-12(2)17(5,6)10-15(18)11-19-16-13(3)8-7-9-14(16)4/h7-9,12,15,18H,10-11H2,1-6H3/q+1
InChIKey
VGQDBIAUIUONEF-UHFFFAOYSA-N
Compound name
[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-dimethyl-propan-2-ylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.212 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.21928 163.9
[M+Na]+ 289.20122 169.1
[M-H]- 265.20472 167.6
[M+NH4]+ 284.24582 180.7
[M+K]+ 305.17516 162.2
[M+H-H2O]+ 249.20926 160.6
[M+HCOO]- 311.21020 183.6
[M+CH3COO]- 325.22585 198.8
[M+Na-2H]- 287.18667 168.1
[M]+ 266.21145 165.7
[M]- 266.21255 165.7
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.