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]+ 221.10330 147.8
[M+Na]+ 243.08524 153.2
[M-H]- 219.08874 148.9
[M+NH4]+ 238.12984 161.8
[M+K]+ 259.05918 145.4
[M+H-H2O]+ 203.09328 143.3
[M+HCOO]- 265.09422 167.3
[M+CH3COO]- 279.10987 177.1
[M+Na-2H]- 241.07069 154.0
[M]+ 220.09547 141.2
[M]- 220.09657 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.