CID 110688

Octahydrocyclopenta[c]pyrrole

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C1CC2CNCC2C1

InChI

InChI=1S/C7H13N/c1-2-6-4-8-5-7(6)3-1/h6-8H,1-5H2

InChIKey

UZHVXJZEHGSWQV-UHFFFAOYSA-N

Compound name

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 5523
Patents: 111.1048 Da
Monoisotopic Mass: 1.1
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]+	112.112076	125.3
[M+Na]+	134.094018	131.3
[M-H]-	110.097524	126.3
[M+NH4]+	129.138623	150.3
[M+K]+	150.067958	129.5
[M+H-H2O]+	94.102060	119.8
[M+HCOO]-	156.103001	144.7
[M+CH3COO]-	170.118651	138.3
[M+Na-2H]-	132.079466	128.9
[M]+	111.10425142	119.0
[M]-	111.10534858	119.0

Literature stripe

literature stripe

Patent stripe

patents stripe