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: 21
Patents: 211.09569 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	212.10297	143.2
[M+Na]+	234.08491	153.6
[M+NH4]+	229.12951	150.0
[M+K]+	250.05885	151.3
[M-H]-	210.08841	146.4
[M+Na-2H]-	232.07036	148.1
[M]+	211.09514	145.1
[M]-	211.09624	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe