CID 10398231

Hc yellow no. 9

Structural Information

Molecular Formula
C9H13N3O3
SMILES
COC1=CC(=C(C=C1)[N+](=O)[O-])NCCN
InChI
InChI=1S/C9H13N3O3/c1-15-7-2-3-9(12(13)14)8(6-7)11-5-4-10/h2-3,6,11H,4-5,10H2,1H3
InChIKey
NYEPVTVFVYEGIQ-UHFFFAOYSA-N
Compound name
N'-(5-methoxy-2-nitrophenyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3525
Patents

211.09569 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.102966 142.3
[M+Na]+ 234.084908 148.4
[M-H]- 210.088414 145.6
[M+NH4]+ 229.129513 159.5
[M+K]+ 250.058848 142.7
[M+H-H2O]+ 194.092950 140.1
[M+HCOO]- 256.093891 169.5
[M+CH3COO]- 270.109541 185.9
[M+Na-2H]- 232.070356 149.7
[M]+ 211.09514142 140.6
[M]- 211.09623858 140.6
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