CID 75393

2-isopropyl-5-methyl-4-nitrosophenol

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CC1=CC(=C(C=C1N=O)C(C)C)O

InChI

InChI=1S/C10H13NO2/c1-6(2)8-5-9(11-13)7(3)4-10(8)12/h4-6,12H,1-3H3

InChIKey

YQVCMSSJMLGWAM-UHFFFAOYSA-N

Compound name

5-methyl-4-nitroso-2-propan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 80
Patents: 179.09464 Da
Monoisotopic Mass: 2.7
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]+	180.101916	136.4
[M+Na]+	202.083858	145.3
[M-H]-	178.087364	141.0
[M+NH4]+	197.128463	156.9
[M+K]+	218.057798	144.2
[M+H-H2O]+	162.091900	130.8
[M+HCOO]-	224.092841	161.3
[M+CH3COO]-	238.108491	186.7
[M+Na-2H]-	200.069306	141.1
[M]+	179.09409142	138.7
[M]-	179.09518858	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe