CID 14994

Dinoterb

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₅

SMILES

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

InChI

InChI=1S/C10H12N2O5/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17/h4-5,13H,1-3H3

InChIKey

IIPZYDQGBIWLBU-UHFFFAOYSA-N

Compound name

2-tert-butyl-4,6-dinitrophenol

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 10
References: 15991
Patents: 240.07462 Da
Monoisotopic Mass: 3.4
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]+	241.08190	150.0
[M+Na]+	263.06384	156.9
[M-H]-	239.06734	153.2
[M+NH4]+	258.10844	165.4
[M+K]+	279.03778	147.3
[M+H-H2O]+	223.07188	153.8
[M+HCOO]-	285.07282	172.9
[M+CH3COO]-	299.08847	180.2
[M+Na-2H]-	261.04929	158.9
[M]+	240.07407	147.7
[M]-	240.07517	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe