CID 3069519

Brn 4468706

Structural Information

Molecular Formula
C10H12N4O2
SMILES
CN1CCCC1=NC2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H12N4O2/c1-13-6-2-3-10(13)12-9-5-4-8(7-11-9)14(15)16/h4-5,7H,2-3,6H2,1H3
InChIKey
VZZKGEOAKJMEIV-UHFFFAOYSA-N
Compound name
1-methyl-N-(5-nitropyridin-2-yl)pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.09602 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10330 146.1
[M+Na]+ 243.08524 158.0
[M+NH4]+ 238.12984 153.6
[M+K]+ 259.05918 156.5
[M-H]- 219.08874 150.3
[M+Na-2H]- 241.07069 152.8
[M]+ 220.09547 148.6
[M]- 220.09657 148.6
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.