CID 18466602

6-chloro-n-cyclopropyl-3-nitropyridin-2-amine

Structural Information

Molecular Formula
C8H8ClN3O2
SMILES
C1CC1NC2=C(C=CC(=N2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C8H8ClN3O2/c9-7-4-3-6(12(13)14)8(11-7)10-5-1-2-5/h3-5H,1-2H2,(H,10,11)
InChIKey
FYIAEAAQBSHDPC-UHFFFAOYSA-N
Compound name
6-chloro-N-cyclopropyl-3-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

213.0305 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.037776 136.8
[M+Na]+ 236.019718 146.2
[M-H]- 212.023224 142.8
[M+NH4]+ 231.064323 149.2
[M+K]+ 251.993658 137.6
[M+H-H2O]+ 196.027760 134.8
[M+HCOO]- 258.028701 158.4
[M+CH3COO]- 272.044351 184.9
[M+Na-2H]- 234.005166 145.5
[M]+ 213.02995142 138.4
[M]- 213.03104858 138.4
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

patents stripe