CID 248741

4-(aziridin-1-yl)-8-nitrocinnoline

Structural Information

Molecular Formula
C10H8N4O2
SMILES
C1CN1C2=CN=NC3=C2C=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C10H8N4O2/c15-14(16)8-3-1-2-7-9(13-4-5-13)6-11-12-10(7)8/h1-3,6H,4-5H2
InChIKey
OKSWAVTWOUSYOX-UHFFFAOYSA-N
Compound name
4-(aziridin-1-yl)-8-nitrocinnoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.06473 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.07201 149.2
[M+Na]+ 239.05395 159.7
[M-H]- 215.05745 153.8
[M+NH4]+ 234.09855 159.2
[M+K]+ 255.02789 150.7
[M+H-H2O]+ 199.06199 144.5
[M+HCOO]- 261.06293 170.9
[M+CH3COO]- 275.07858 185.7
[M+Na-2H]- 237.03940 159.7
[M]+ 216.06418 149.6
[M]- 216.06528 149.6
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.