CID 122425

29602-39-9

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

3
References

439
Patents

182.08037 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08765 133.5
[M+Na]+ 205.06959 139.7
[M-H]- 181.07309 135.5
[M+NH4]+ 200.11419 150.4
[M+K]+ 221.04353 133.8
[M+H-H2O]+ 165.07763 130.8
[M+HCOO]- 227.07857 160.0
[M+CH3COO]- 241.09422 179.2
[M+Na-2H]- 203.05504 143.0
[M]+ 182.07982 129.9
[M]- 182.08092 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

literature stripe

Patent stripe

patents stripe