CID 202731

Propiophenone, 3-(dimethylamino)-, n-oxide, hydrochloride

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CN(C(CC(=O)C1=CC=CC=C1)N(C)[O-])[O-]
InChI
InChI=1S/C11H14N2O3/c1-12(15)11(13(2)16)8-10(14)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3/q-2
InChIKey
KGUDDGZQGCSLRK-UHFFFAOYSA-N
Compound name
3,3-bis[methyl(oxido)amino]-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.10045 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.107726 146.6
[M+Na]+ 245.089668 150.2
[M-H]- 221.093174 149.1
[M+NH4]+ 240.134273 163.3
[M+K]+ 261.063608 152.5
[M+H-H2O]+ 205.097710 143.9
[M+HCOO]- 267.098651 170.9
[M+CH3COO]- 281.114301 195.2
[M+Na-2H]- 243.075116 148.5
[M]+ 222.09990142 145.8
[M]- 222.10099858 145.8
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.