CID 76314

2977-69-7

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₄

SMILES

CN(C)CC1=C(C(=CC(=C1)[N+](=O)[O-])OC)O

InChI

InChI=1S/C10H14N2O4/c1-11(2)6-7-4-8(12(14)15)5-9(16-3)10(7)13/h4-5,13H,6H2,1-3H3

InChIKey

MSWHEVZDIOXYEF-UHFFFAOYSA-N

Compound name

2-[(dimethylamino)methyl]-6-methoxy-4-nitrophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 226.09535 Da
Monoisotopic Mass: 1.2
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]+	227.10263	147.1
[M+Na]+	249.08457	159.0
[M+NH4]+	244.12917	154.2
[M+K]+	265.05851	157.1
[M-H]-	225.08807	150.1
[M+Na-2H]-	247.07002	152.1
[M]+	226.09480	149.4
[M]-	226.09590	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe