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]+ 226.118616 146.9
[M+Na]+ 248.100558 151.9
[M-H]- 224.104064 148.8
[M+NH4]+ 243.145163 162.8
[M+K]+ 264.074498 145.7
[M+H-H2O]+ 208.108600 144.9
[M+HCOO]- 270.109541 171.4
[M+CH3COO]- 284.125191 187.1
[M+Na-2H]- 246.086006 152.2
[M]+ 225.11079142 143.1
[M]- 225.11188858 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.