CID 3037423

6-methyl-pmni

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]+ 235.11896 152.7
[M+Na]+ 257.10090 158.6
[M-H]- 233.10440 154.0
[M+NH4]+ 252.14550 166.5
[M+K]+ 273.07484 150.5
[M+H-H2O]+ 217.10894 148.3
[M+HCOO]- 279.10988 171.8
[M+CH3COO]- 293.12553 181.2
[M+Na-2H]- 255.08635 157.7
[M]+ 234.11113 146.8
[M]- 234.11223 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.