CID 2772075

69631-56-7

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

COC(=O)C1=NNC2=C1CCC2

InChI

InChI=1S/C8H10N2O2/c1-12-8(11)7-5-3-2-4-6(5)9-10-7/h2-4H2,1H3,(H,9,10)

InChIKey

LOUYGUZFGBPISB-UHFFFAOYSA-N

Compound name

methyl 1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 166.07423 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]+	167.08151	135.0
[M+Na]+	189.06345	144.3
[M+NH4]+	184.10805	142.5
[M+K]+	205.03739	143.5
[M-H]-	165.06695	133.9
[M+Na-2H]-	187.04890	137.7
[M]+	166.07368	135.6
[M]-	166.07478	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe