CID 25324785

442877-23-8

Structural Information

Molecular Formula

C₁₃H₂₁NO₄

SMILES

CC(C)(C)OC(=O)N1C[C@H]2CC(C[C@H]2C1)C(=O)O

InChI

InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-6-9-4-8(11(15)16)5-10(9)7-14/h8-10H,4-7H2,1-3H3,(H,15,16)/t8?,9-,10+

InChIKey

QGUILIYSENMTGT-PBINXNQUSA-N

Compound name

(3aR,6aS)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 255.14706 Da
Monoisotopic Mass: 1.4
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]+	256.154336	162.1
[M+Na]+	278.136278	167.5
[M-H]-	254.139784	163.5
[M+NH4]+	273.180883	181.7
[M+K]+	294.110218	166.5
[M+H-H2O]+	238.144320	157.6
[M+HCOO]-	300.145261	177.0
[M+CH3COO]-	314.160911	191.2
[M+Na-2H]-	276.121726	160.7
[M]+	255.14651142	161.2
[M]-	255.14760858	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe