CID 5708573

30956-95-7

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]+ 191.130456 140.7
[M+Na]+ 213.112398 147.2
[M-H]- 189.115904 145.8
[M+NH4]+ 208.157003 160.7
[M+K]+ 229.086338 139.9
[M+H-H2O]+ 173.120440 137.7
[M+HCOO]- 235.121381 164.5
[M+CH3COO]- 249.137031 181.6
[M+Na-2H]- 211.097846 149.9
[M]+ 190.12263142 140.0
[M]- 190.12372858 140.0
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.