CID 210671

21484-52-6

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

C1CC2=C(C1)N(N=C2CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C14H14N2O2/c17-14(18)9-12-11-7-4-8-13(11)16(15-12)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,17,18)

InChIKey

WTMWGZQAMBPICC-UHFFFAOYSA-N

Compound name

2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.10553 Da
Monoisotopic Mass: 2.1
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]+	243.112806	154.6
[M+Na]+	265.094748	162.6
[M-H]-	241.098254	158.8
[M+NH4]+	260.139353	173.1
[M+K]+	281.068688	158.7
[M+H-H2O]+	225.102790	147.1
[M+HCOO]-	287.103731	174.5
[M+CH3COO]-	301.119381	166.6
[M+Na-2H]-	263.080196	156.2
[M]+	242.10498142	154.2
[M]-	242.10607858	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.