CID 1515515

2059917-65-4

Structural Information

Molecular Formula

C₁₅H₁₉NO₂

SMILES

C1C[C@H]2CN(C[C@]2(C1)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C15H19NO2/c17-14(18)15-8-4-7-13(15)10-16(11-15)9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,17,18)/t13-,15-/m0/s1

InChIKey

NRQNCWGEIKPPEQ-ZFWWWQNUSA-N

Compound name

(3aR,6aR)-2-benzyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 245.14159 Da
Monoisotopic Mass: -0.1
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]+	246.148866	159.0
[M+Na]+	268.130808	164.7
[M-H]-	244.134314	163.5
[M+NH4]+	263.175413	180.3
[M+K]+	284.104748	160.9
[M+H-H2O]+	228.138850	152.5
[M+HCOO]-	290.139791	176.9
[M+CH3COO]-	304.155441	170.2
[M+Na-2H]-	266.116256	159.8
[M]+	245.14104142	155.4
[M]-	245.14213858	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.