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-nitro-2-pyridinyl)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]+ 221.103296 146.5
[M+Na]+ 243.085238 152.8
[M-H]- 219.088744 152.0
[M+NH4]+ 238.129843 163.2
[M+K]+ 259.059178 146.7
[M+H-H2O]+ 203.093280 142.3
[M+HCOO]- 265.094221 171.3
[M+CH3COO]- 279.109871 185.5
[M+Na-2H]- 241.070686 153.3
[M]+ 220.09547142 142.8
[M]- 220.09656858 142.8
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.