CID 40411

2-[bis(2-hydroxyethyl)amino]-5-nitrophenol

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₅

SMILES

C1=CC(=C(C=C1[N+](=O)[O-])O)N(CCO)CCO

InChI

InChI=1S/C10H14N2O5/c13-5-3-11(4-6-14)9-2-1-8(12(16)17)7-10(9)15/h1-2,7,13-15H,3-6H2

InChIKey

ULLVPKLPBOZYMK-UHFFFAOYSA-N

Compound name

2-[bis(2-hydroxyethyl)amino]-5-nitrophenol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 790
Patents: 242.09027 Da
Monoisotopic Mass: 0.2
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]+	243.097546	149.3
[M+Na]+	265.079488	154.4
[M-H]-	241.082994	150.3
[M+NH4]+	260.124093	164.2
[M+K]+	281.053428	148.8
[M+H-H2O]+	225.087530	147.4
[M+HCOO]-	287.088471	172.3
[M+CH3COO]-	301.104121	184.4
[M+Na-2H]-	263.064936	155.0
[M]+	242.08972142	148.2
[M]-	242.09081858	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe