CID 10060244

1-benzyl-1h,4h,5h,6h-cyclopenta[b]pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C15H15NO2
SMILES
C1CC2=C(C1)N(C(=C2)C(=O)O)CC3=CC=CC=C3
InChI
InChI=1S/C15H15NO2/c17-15(18)14-9-12-7-4-8-13(12)16(14)10-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H,17,18)
InChIKey
OTBPAULHOBIMNN-UHFFFAOYSA-N
Compound name
1-benzyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

241.11028 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11756 155.3
[M+Na]+ 264.09950 162.9
[M-H]- 240.10300 160.7
[M+NH4]+ 259.14410 175.2
[M+K]+ 280.07344 158.8
[M+H-H2O]+ 224.10754 148.7
[M+HCOO]- 286.10848 176.1
[M+CH3COO]- 300.12413 167.6
[M+Na-2H]- 262.08495 156.4
[M]+ 241.10973 154.7
[M]- 241.11083 154.7
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

patents stripe