CID 67076040

(1-methyl-4-nitro-1h-pyrazol-3-yl)methanol

Structural Information

Molecular Formula

C₅H₇N₃O₃

SMILES

CN1C=C(C(=N1)CO)[N+](=O)[O-]

InChI

InChI=1S/C5H7N3O3/c1-7-2-5(8(10)11)4(3-9)6-7/h2,9H,3H2,1H3

InChIKey

IMWPEOTZNMDDEG-UHFFFAOYSA-N

Compound name

(1-methyl-4-nitropyrazol-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 157.04874 Da
Monoisotopic Mass: -0.8
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	128.1
[M+Na]+	180.03796	139.6
[M+NH4]+	175.08256	134.8
[M+K]+	196.01190	140.0
[M-H]-	156.04146	128.4
[M+Na-2H]-	178.02341	132.3
[M]+	157.04819	129.4
[M]-	157.04929	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe