CID 3037415

Pyridine, 3-((2-(nitromethylene)-1-imidazolidinyl)methyl)-

Structural Information

Molecular Formula
C10H12N4O2
SMILES
C1CN(/C(=C\[N+](=O)[O-])/N1)CC2=CN=CC=C2
InChI
InChI=1S/C10H12N4O2/c15-14(16)8-10-12-4-5-13(10)7-9-2-1-3-11-6-9/h1-3,6,8,12H,4-5,7H2/b10-8-
InChIKey
PWHOPRHAWMKNIM-NTMALXAHSA-N
Compound name
3-[[(2Z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.09602 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.103296 147.8
[M+Na]+ 243.085238 153.2
[M-H]- 219.088744 148.9
[M+NH4]+ 238.129843 161.8
[M+K]+ 259.059178 145.4
[M+H-H2O]+ 203.093280 143.3
[M+HCOO]- 265.094221 167.3
[M+CH3COO]- 279.109871 177.1
[M+Na-2H]- 241.070686 154.0
[M]+ 220.09547142 141.2
[M]- 220.09656858 141.2
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.