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

55
Patents

213.0305 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.03778 136.8
[M+Na]+ 236.01972 146.2
[M-H]- 212.02322 142.8
[M+NH4]+ 231.06432 149.2
[M+K]+ 251.99366 137.6
[M+H-H2O]+ 196.02776 134.8
[M+HCOO]- 258.02870 158.4
[M+CH3COO]- 272.04435 184.9
[M+Na-2H]- 234.00517 145.5
[M]+ 213.02995 138.4
[M]- 213.03105 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