CID 13907759

Hc red no. 15

Structural Information

Molecular Formula
C9H13N3O3
SMILES
C1=CC(=C(C=C1N)[N+](=O)[O-])NCCCO
InChI
InChI=1S/C9H13N3O3/c10-7-2-3-8(11-4-1-5-13)9(6-7)12(14)15/h2-3,6,11,13H,1,4-5,10H2
InChIKey
ODCIHABKDKKXEG-UHFFFAOYSA-N
Compound name
3-(4-amino-2-nitroanilino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

211.09569 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.102966 141.8
[M+Na]+ 234.084908 147.5
[M-H]- 210.088414 143.8
[M+NH4]+ 229.129513 158.3
[M+K]+ 250.058848 141.0
[M+H-H2O]+ 194.092950 139.9
[M+HCOO]- 256.093891 167.6
[M+CH3COO]- 270.109541 183.2
[M+Na-2H]- 232.070356 148.9
[M]+ 211.09514142 138.4
[M]- 211.09623858 138.4
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