CID 608928

1080-89-3

Structural Information

Molecular Formula

C₁₀H₉N₃O₂

SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)N=O

InChI

InChI=1S/C10H9N3O2/c1-7-9(12-15)10(14)13(11-7)8-5-3-2-4-6-8/h2-6,11H,1H3

InChIKey

DTYABAPGESPUEA-UHFFFAOYSA-N

Compound name

5-methyl-4-nitroso-2-phenyl-1H-pyrazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 6
Patents: 203.06947 Da
Monoisotopic Mass: 1.4
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]+	204.07675	142.1
[M+Na]+	226.05869	155.3
[M+NH4]+	221.10329	149.2
[M+K]+	242.03263	151.2
[M-H]-	202.06219	144.5
[M+Na-2H]-	224.04414	149.8
[M]+	203.06892	144.4
[M]-	203.07002	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe