CID 360898

Nsc623607

Structural Information

Molecular Formula
C10H15N3O3
SMILES
CCNCC(C1=CC(=C(C=C1)N)[N+](=O)[O-])O
InChI
InChI=1S/C10H15N3O3/c1-2-12-6-10(14)7-3-4-8(11)9(5-7)13(15)16/h3-5,10,12,14H,2,6,11H2,1H3
InChIKey
PZAKUZQJPGDNIX-UHFFFAOYSA-N
Compound name
1-(4-amino-3-nitrophenyl)-2-(ethylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11134 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.11862 146.9
[M+Na]+ 248.10056 151.9
[M-H]- 224.10406 148.8
[M+NH4]+ 243.14516 162.8
[M+K]+ 264.07450 145.7
[M+H-H2O]+ 208.10860 144.9
[M+HCOO]- 270.10954 171.4
[M+CH3COO]- 284.12519 187.1
[M+Na-2H]- 246.08601 152.2
[M]+ 225.11079 143.1
[M]- 225.11189 143.1
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

No patent data available for this compound.