CID 65858978

(4-bromo-1,3-dimethyl-1h-pyrazol-5-yl)methanol

Structural Information

Molecular Formula

C₆H₉BrN₂O

SMILES

CC1=NN(C(=C1Br)CO)C

InChI

InChI=1S/C6H9BrN2O/c1-4-6(7)5(3-10)9(2)8-4/h10H,3H2,1-2H3

InChIKey

GOMDOSQDRRIGSK-UHFFFAOYSA-N

Compound name

(4-bromo-2,5-dimethylpyrazol-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 203.98982 Da
Monoisotopic Mass: 0.5
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]+	204.99710	141.1
[M+Na]+	226.97904	143.7
[M+NH4]+	222.02364	145.0
[M+K]+	242.95298	145.8
[M-H]-	202.98254	139.6
[M+Na-2H]-	224.96449	142.4
[M]+	203.98927	139.7
[M]-	203.99037	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe