CID 84655808

(5-bromo-1h-pyrazol-3-yl)methanol

Structural Information

Molecular Formula

C₄H₅BrN₂O

SMILES

C1=C(NN=C1Br)CO

InChI

InChI=1S/C4H5BrN2O/c5-4-1-3(2-8)6-7-4/h1,8H,2H2,(H,6,7)

InChIKey

LNDWCWKVSJECGA-UHFFFAOYSA-N

Compound name

(3-bromo-1H-pyrazol-5-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 175.95853 Da
Monoisotopic Mass: 0.4
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]+	176.96581	133.8
[M+Na]+	198.94775	135.7
[M+NH4]+	193.99235	137.7
[M+K]+	214.92169	138.1
[M-H]-	174.95125	131.8
[M+Na-2H]-	196.93320	135.5
[M]+	175.95798	132.1
[M]-	175.95908	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe