CID 926170

77822-84-5

Structural Information

Molecular Formula
C13H10N2O2
SMILES
C1OC2=C(O1)C=C(C=C2)N=CC3=CN=CC=C3
InChI
InChI=1S/C13H10N2O2/c1-2-10(7-14-5-1)8-15-11-3-4-12-13(6-11)17-9-16-12/h1-8H,9H2
InChIKey
VZPLXGRDUJLQES-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.07423 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08151 146.7
[M+Na]+ 249.06345 155.2
[M-H]- 225.06695 155.6
[M+NH4]+ 244.10805 163.7
[M+K]+ 265.03739 154.2
[M+H-H2O]+ 209.07149 138.8
[M+HCOO]- 271.07243 170.6
[M+CH3COO]- 285.08808 160.5
[M+Na-2H]- 247.04890 156.1
[M]+ 226.07368 148.8
[M]- 226.07478 148.8
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.