CID 210671

Poli 44

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[c]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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11281 154.6
[M+Na]+ 265.09475 162.6
[M-H]- 241.09825 158.8
[M+NH4]+ 260.13935 173.1
[M+K]+ 281.06869 158.7
[M+H-H2O]+ 225.10279 147.1
[M+HCOO]- 287.10373 174.5
[M+CH3COO]- 301.11938 166.6
[M+Na-2H]- 263.08020 156.2
[M]+ 242.10498 154.2
[M]- 242.10608 154.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.