CID 2728285

N-(3-nitro-2-pyridyl)ethylenediamine

Structural Information

Molecular Formula
C7H10N4O2
SMILES
C1=CC(=C(N=C1)NCCN)[N+](=O)[O-]
InChI
InChI=1S/C7H10N4O2/c8-3-5-10-7-6(11(12)13)2-1-4-9-7/h1-2,4H,3,5,8H2,(H,9,10)
InChIKey
VEEUCCPATNOHPT-UHFFFAOYSA-N
Compound name
N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

182.08037 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.087646 133.5
[M+Na]+ 205.069588 139.7
[M-H]- 181.073094 135.5
[M+NH4]+ 200.114193 150.4
[M+K]+ 221.043528 133.8
[M+H-H2O]+ 165.077630 130.8
[M+HCOO]- 227.078571 160.0
[M+CH3COO]- 241.094221 179.2
[M+Na-2H]- 203.055036 143.0
[M]+ 182.07982142 129.9
[M]- 182.08091858 129.9
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