CID 42959084

En300-39408

Structural Information

Molecular Formula
C13H12N2O2
SMILES
C1=CC(=CC(=C1)OCC2=CN=CC=C2)/C=N/O
InChI
InChI=1S/C13H12N2O2/c16-15-9-11-3-1-5-13(7-11)17-10-12-4-2-6-14-8-12/h1-9,16H,10H2/b15-9+
InChIKey
YSEWNGORSFRMGB-OQLLNIDSSA-N
Compound name
(NE)-N-[[3-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.08987 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09715 148.9
[M+Na]+ 251.07909 156.3
[M-H]- 227.08259 154.3
[M+NH4]+ 246.12369 165.0
[M+K]+ 267.05303 152.8
[M+H-H2O]+ 211.08713 140.3
[M+HCOO]- 273.08807 174.0
[M+CH3COO]- 287.10372 190.2
[M+Na-2H]- 249.06454 157.3
[M]+ 228.08932 149.8
[M]- 228.09042 149.8
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.