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]+ 242.117556 155.3
[M+Na]+ 264.099498 162.9
[M-H]- 240.103004 160.7
[M+NH4]+ 259.144103 175.2
[M+K]+ 280.073438 158.8
[M+H-H2O]+ 224.107540 148.7
[M+HCOO]- 286.108481 176.1
[M+CH3COO]- 300.124131 167.6
[M+Na-2H]- 262.084946 156.4
[M]+ 241.10973142 154.7
[M]- 241.11082858 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