CID 13509426

Methylephedrine-n-oxide

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC(C(C1=CC=CC=C1)O)[N+](C)(C)[O-]
InChI
InChI=1S/C11H17NO2/c1-9(12(2,3)14)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3
InChIKey
PBNJYPIIDRMPMW-UHFFFAOYSA-N
Compound name
1-hydroxy-N,N-dimethyl-1-phenylpropan-2-amine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 141.1
[M+Na]+ 218.11515 146.1
[M-H]- 194.11865 143.2
[M+NH4]+ 213.15975 159.4
[M+K]+ 234.08909 140.3
[M+H-H2O]+ 178.12319 140.7
[M+HCOO]- 240.12413 162.0
[M+CH3COO]- 254.13978 178.0
[M+Na-2H]- 216.10060 148.4
[M]+ 195.12538 138.1
[M]- 195.12648 138.1
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.