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

3059
Patents

211.09569 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10297 142.3
[M+Na]+ 234.08491 148.4
[M-H]- 210.08841 145.6
[M+NH4]+ 229.12951 159.5
[M+K]+ 250.05885 142.7
[M+H-H2O]+ 194.09295 140.1
[M+HCOO]- 256.09389 169.5
[M+CH3COO]- 270.10954 185.9
[M+Na-2H]- 232.07036 149.7
[M]+ 211.09514 140.6
[M]- 211.09624 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