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

73
Patents

197.09128 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.098556 135.9
[M+Na]+ 220.080498 142.1
[M-H]- 196.084004 137.7
[M+NH4]+ 215.125103 151.7
[M+K]+ 236.054438 135.9
[M+H-H2O]+ 180.088540 133.0
[M+HCOO]- 242.089481 162.7
[M+CH3COO]- 256.105131 184.8
[M+Na-2H]- 218.065946 144.2
[M]+ 197.09073142 130.8
[M]- 197.09182858 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