CID 15008414

129560-01-6

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

CN1C(=C2CCCC2=N1)C(=O)O

InChI

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

InChIKey

YOZQPUMFUSTCFY-UHFFFAOYSA-N

Compound name

2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 166.07423 Da
Monoisotopic Mass: 0.8
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	134.6
[M+Na]+	189.06345	144.2
[M+NH4]+	184.10805	142.0
[M+K]+	205.03739	143.7
[M-H]-	165.06695	133.6
[M+Na-2H]-	187.04890	137.1
[M]+	166.07368	135.3
[M]-	166.07478	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe