CID 22142380

2,6-diamino-n2-(2-aminoethyl)-5-nitropyridine

Structural Information

Molecular Formula
C7H11N5O2
SMILES
C1=CC(=NC(=C1[N+](=O)[O-])N)NCCN
InChI
InChI=1S/C7H11N5O2/c8-3-4-10-6-2-1-5(12(13)14)7(9)11-6/h1-2H,3-4,8H2,(H3,9,10,11)
InChIKey
JNXKEBLSRILDQM-UHFFFAOYSA-N
Compound name
6-N-(2-aminoethyl)-3-nitropyridine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

197.09128 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.09856 135.9
[M+Na]+ 220.08050 142.1
[M-H]- 196.08400 137.7
[M+NH4]+ 215.12510 151.7
[M+K]+ 236.05444 135.9
[M+H-H2O]+ 180.08854 133.0
[M+HCOO]- 242.08948 162.7
[M+CH3COO]- 256.10513 184.8
[M+Na-2H]- 218.06595 144.2
[M]+ 197.09073 130.8
[M]- 197.09183 130.8
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

patents stripe