CID 53235501

Methyl 1-(3-chloropyridin-2-yl)-3-(hydroxymethyl)-1h-pyrazole-5-carboxylate

Structural Information

Molecular Formula

C₁₁H₁₀ClN₃O₃

SMILES

COC(=O)C1=CC(=NN1C2=C(C=CC=N2)Cl)CO

InChI

InChI=1S/C11H10ClN3O3/c1-18-11(17)9-5-7(6-16)14-15(9)10-8(12)3-2-4-13-10/h2-5,16H,6H2,1H3

InChIKey

LIVBOELPEIGMQV-UHFFFAOYSA-N

Compound name

methyl 1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 267.04108 Da
Monoisotopic Mass: 1.1
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]+	268.048356	155.0
[M+Na]+	290.030298	165.6
[M-H]-	266.033804	157.3
[M+NH4]+	285.074903	169.6
[M+K]+	306.004238	161.2
[M+H-H2O]+	250.038340	146.8
[M+HCOO]-	312.039281	170.8
[M+CH3COO]-	326.054931	191.3
[M+Na-2H]-	288.015746	157.8
[M]+	267.04053142	159.3
[M]-	267.04162858	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe