CID 68623715

957129-36-1

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CCOC(=O)C1=NNC(=C1)C2CCC2

InChI

InChI=1S/C10H14N2O2/c1-2-14-10(13)9-6-8(11-12-9)7-4-3-5-7/h6-7H,2-5H2,1H3,(H,11,12)

InChIKey

ZSUPRHDFBDWAKI-UHFFFAOYSA-N

Compound name

ethyl 5-cyclobutyl-1H-pyrazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 194.10553 Da
Monoisotopic Mass: 1.9
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]+	195.112806	141.1
[M+Na]+	217.094748	146.5
[M-H]-	193.098254	143.6
[M+NH4]+	212.139353	152.4
[M+K]+	233.068688	147.5
[M+H-H2O]+	177.102790	128.7
[M+HCOO]-	239.103731	159.8
[M+CH3COO]-	253.119381	183.2
[M+Na-2H]-	215.080196	143.5
[M]+	194.10498142	148.8
[M]-	194.10607858	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe