CID 3037423

Dtxsid80876462

Structural Information

Molecular Formula
C11H14N4O2
SMILES
CC1=NC=C(C=C1)CN\2CCN/C2=C/[N+](=O)[O-]
InChI
InChI=1S/C11H14N4O2/c1-9-2-3-10(6-13-9)7-14-5-4-12-11(14)8-15(16)17/h2-3,6,8,12H,4-5,7H2,1H3/b11-8-
InChIKey
HTTIFZROASVPFO-FLIBITNWSA-N
Compound name
2-methyl-5-[[(2Z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.11168 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.118956 152.7
[M+Na]+ 257.100898 158.6
[M-H]- 233.104404 154.0
[M+NH4]+ 252.145503 166.5
[M+K]+ 273.074838 150.5
[M+H-H2O]+ 217.108940 148.3
[M+HCOO]- 279.109881 171.8
[M+CH3COO]- 293.125531 181.2
[M+Na-2H]- 255.086346 157.7
[M]+ 234.11113142 146.8
[M]- 234.11222858 146.8
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.