CID 42959084

1030421-72-7

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]+ 229.097146 148.9
[M+Na]+ 251.079088 156.3
[M-H]- 227.082594 154.3
[M+NH4]+ 246.123693 165.0
[M+K]+ 267.053028 152.8
[M+H-H2O]+ 211.087130 140.3
[M+HCOO]- 273.088071 174.0
[M+CH3COO]- 287.103721 190.2
[M+Na-2H]- 249.064536 157.3
[M]+ 228.08932142 149.8
[M]- 228.09041858 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.