CID 94531

Benzyldimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride

Structural Information

Molecular Formula
C15H22NO2
SMILES
CC(=C)C(=O)OCC[N+](C)(C)CC1=CC=CC=C1
InChI
InChI=1S/C15H22NO2/c1-13(2)15(17)18-11-10-16(3,4)12-14-8-6-5-7-9-14/h5-9H,1,10-12H2,2-4H3/q+1
InChIKey
ILWNQJSSTDJSJX-UHFFFAOYSA-N
Compound name
benzyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2032
Patents

248.16505 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.17233 158.3
[M+Na]+ 271.15427 163.2
[M-H]- 247.15777 162.9
[M+NH4]+ 266.19887 175.8
[M+K]+ 287.12821 156.1
[M+H-H2O]+ 231.16231 154.6
[M+HCOO]- 293.16325 180.3
[M+CH3COO]- 307.17890 193.4
[M+Na-2H]- 269.13972 164.8
[M]+ 248.16450 159.4
[M]- 248.16560 159.4
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

patents stripe