CID 5708573

3-oxo-3-phenyl-n,n,n-trimethyl-1-propen-1-aminium chloride

Structural Information

Molecular Formula
C12H16NO
SMILES
C[N+](C)(C)/C=C/C(=O)C1=CC=CC=C1
InChI
InChI=1S/C12H16NO/c1-13(2,3)10-9-12(14)11-7-5-4-6-8-11/h4-10H,1-3H3/q+1/b10-9+
InChIKey
PCFOCOYJFHTSOM-MDZDMXLPSA-N
Compound name
trimethyl-[(E)-3-oxo-3-phenylprop-1-enyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.12318 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.13046 141.4
[M+Na]+ 213.11240 155.4
[M+NH4]+ 208.15700 151.1
[M+K]+ 229.08634 149.3
[M-H]- 189.11590 145.7
[M+Na-2H]- 211.09785 149.9
[M]+ 190.12263 145.0
[M]- 190.12373 145.0
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.