CID 135338

N-desmethyldoxylamine

Structural Information

Molecular Formula
C16H20N2O
SMILES
CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCNC
InChI
InChI=1S/C16H20N2O/c1-16(19-13-12-17-2,14-8-4-3-5-9-14)15-10-6-7-11-18-15/h3-11,17H,12-13H2,1-2H3
InChIKey
VCONERXBEFNHJS-UHFFFAOYSA-N
Compound name
N-methyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.15756 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 160.8
[M+Na]+ 279.14678 166.1
[M-H]- 255.15028 165.5
[M+NH4]+ 274.19138 175.6
[M+K]+ 295.12072 162.3
[M+H-H2O]+ 239.15482 152.1
[M+HCOO]- 301.15576 182.9
[M+CH3COO]- 315.17141 197.9
[M+Na-2H]- 277.13223 169.0
[M]+ 256.15701 161.3
[M]- 256.15811 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.