CID 43114091

3-nitro-n-(oxolan-2-ylmethyl)-1,4-dihydropyridin-4-imine

Structural Information

Molecular Formula
C10H13N3O3
SMILES
C1CC(OC1)CNC2=C(C=NC=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H13N3O3/c14-13(15)10-7-11-4-3-9(10)12-6-8-2-1-5-16-8/h3-4,7-8H,1-2,5-6H2,(H,11,12)
InChIKey
HECKSMIQBAMODJ-UHFFFAOYSA-N
Compound name
3-nitro-N-(oxolan-2-ylmethyl)pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.09569 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10297 146.7
[M+Na]+ 246.08491 157.8
[M+NH4]+ 241.12951 154.3
[M+K]+ 262.05885 157.0
[M-H]- 222.08841 152.2
[M+Na-2H]- 244.07036 152.6
[M]+ 223.09514 149.5
[M]- 223.09624 149.5
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.