CID 84076115

5-bromo-1-methyl-1h-pyrazol-4-ol

Structural Information

Molecular Formula

C₄H₅BrN₂O

SMILES

CN1C(=C(C=N1)O)Br

InChI

InChI=1S/C4H5BrN2O/c1-7-4(5)3(8)2-6-7/h2,8H,1H3

InChIKey

GPFVYAJXKKKVPM-UHFFFAOYSA-N

Compound name

5-bromo-1-methylpyrazol-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 175.95853 Da
Monoisotopic Mass: 0.9
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]+	176.96581	132.5
[M+Na]+	198.94775	135.1
[M+NH4]+	193.99235	136.7
[M+K]+	214.92169	137.5
[M-H]-	174.95125	131.0
[M+Na-2H]-	196.93320	134.5
[M]+	175.95798	131.0
[M]-	175.95908	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe