CID 1548292

1,3-dimethyl-4-nitro-1h-pyrazol-5-ol

Structural Information

Molecular Formula

C₅H₇N₃O₃

SMILES

CC1=C(C(=O)N(N1)C)[N+](=O)[O-]

InChI

InChI=1S/C5H7N3O3/c1-3-4(8(10)11)5(9)7(2)6-3/h6H,1-2H3

InChIKey

MEHYBLUWMWRWJT-UHFFFAOYSA-N

Compound name

2,5-dimethyl-4-nitro-1H-pyrazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 23
Patents: 157.04874 Da
Monoisotopic Mass: 0.3
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]+	158.05602	128.0
[M+Na]+	180.03796	139.9
[M+NH4]+	175.08256	134.4
[M+K]+	196.01190	140.4
[M-H]-	156.04146	128.1
[M+Na-2H]-	178.02341	131.8
[M]+	157.04819	129.3
[M]-	157.04929	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe