CID 86311379

2694063-01-7

Structural Information

Molecular Formula

C₈H₁₆N₂

SMILES

CCN1C[C@H]2CNC[C@H]2C1

InChI

InChI=1S/C8H16N2/c1-2-10-5-7-3-9-4-8(7)6-10/h7-9H,2-6H2,1H3/t7-,8+

InChIKey

LEGNYJMRADOJNA-OCAPTIKFSA-N

Compound name

(3aR,6aS)-5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 140.13135 Da
Monoisotopic Mass: 0.3
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]+	141.13863	133.8
[M+Na]+	163.12057	140.3
[M-H]-	139.12407	133.6
[M+NH4]+	158.16517	156.6
[M+K]+	179.09451	138.2
[M+H-H2O]+	123.12861	127.4
[M+HCOO]-	185.12955	151.6
[M+CH3COO]-	199.14520	146.0
[M+Na-2H]-	161.10602	136.0
[M]+	140.13080	128.9
[M]-	140.13190	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe