CID 3069521

Brn 4517823

Structural Information

Molecular Formula
C13H18N4O2
SMILES
CCCCN1CCCC1=NC2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H18N4O2/c1-2-3-8-16-9-4-5-13(16)15-12-7-6-11(10-14-12)17(18)19/h6-7,10H,2-5,8-9H2,1H3
InChIKey
CEVPMCRYESHJEY-UHFFFAOYSA-N
Compound name
1-butyl-N-(5-nitropyridin-2-yl)pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.14297 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.15025 160.6
[M+Na]+ 285.13219 165.5
[M-H]- 261.13569 165.5
[M+NH4]+ 280.17679 175.6
[M+K]+ 301.10613 158.7
[M+H-H2O]+ 245.14023 155.7
[M+HCOO]- 307.14117 184.3
[M+CH3COO]- 321.15682 194.6
[M+Na-2H]- 283.11764 165.8
[M]+ 262.14242 157.9
[M]- 262.14352 157.9
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.