CID 45787

Ammonium, (2,5-dimethoxy-beta-hydroxy-alpha-methylphenethyl)trimethyl-, chloride

Structural Information

Molecular Formula
C14H24NO3
SMILES
CC(C(C1=C(C=CC(=C1)OC)OC)O)[N+](C)(C)C
InChI
InChI=1S/C14H24NO3/c1-10(15(2,3)4)14(16)12-9-11(17-5)7-8-13(12)18-6/h7-10,14,16H,1-6H3/q+1
InChIKey
WJHWYGIDBJSREX-UHFFFAOYSA-N
Compound name
[1-(2,5-dimethoxyphenyl)-1-hydroxypropan-2-yl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.17561 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.18289 157.7
[M+Na]+ 277.16483 163.6
[M-H]- 253.16833 161.8
[M+NH4]+ 272.20943 174.9
[M+K]+ 293.13877 157.8
[M+H-H2O]+ 237.17287 154.6
[M+HCOO]- 299.17381 178.3
[M+CH3COO]- 313.18946 194.7
[M+Na-2H]- 275.15028 163.2
[M]+ 254.17506 160.3
[M]- 254.17616 160.3
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.