CID 60136480

(4-chloro-1-methyl-1h-pyrazol-5-yl)methanol

Structural Information

Molecular Formula

C₅H₇ClN₂O

SMILES

CN1C(=C(C=N1)Cl)CO

InChI

InChI=1S/C5H7ClN2O/c1-8-5(3-9)4(6)2-7-8/h2,9H,3H2,1H3

InChIKey

ZXJIJQWZGOYQIA-UHFFFAOYSA-N

Compound name

(4-chloro-2-methylpyrazol-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 146.02469 Da
Monoisotopic Mass: 0.0
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]+	147.03197	125.3
[M+Na]+	169.01391	138.1
[M+NH4]+	164.05851	133.5
[M+K]+	184.98785	134.1
[M-H]-	145.01741	125.2
[M+Na-2H]-	166.99936	130.9
[M]+	146.02414	127.2
[M]-	146.02524	127.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe