CID 3069522

Brn 4480018

Structural Information

Molecular Formula
C11H14N4O2
SMILES
CN1CCCCC1=NC2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H14N4O2/c1-14-7-3-2-4-11(14)13-10-6-5-9(8-12-10)15(16)17/h5-6,8H,2-4,7H2,1H3
InChIKey
HAXLTJBRRGLPSO-UHFFFAOYSA-N
Compound name
1-methyl-N-(5-nitropyridin-2-yl)piperidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.11168 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11896 149.9
[M+Na]+ 257.10090 162.8
[M+NH4]+ 252.14550 157.5
[M+K]+ 273.07484 158.9
[M-H]- 233.10440 154.9
[M+Na-2H]- 255.08635 157.4
[M]+ 234.11113 152.8
[M]- 234.11223 152.8
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.