CID 138039485

2241140-55-4

Structural Information

Molecular Formula

C₉H₁₆N₂O₂

SMILES

CN(C)C(=O)[C@]12CNC[C@H]1COC2

InChI

InChI=1S/C9H16N2O2/c1-11(2)8(12)9-5-10-3-7(9)4-13-6-9/h7,10H,3-6H2,1-2H3/t7-,9-/m0/s1

InChIKey

KXQGNKVRFIAZIV-CBAPKCEASA-N

Compound name

(3aS,6aS)-N,N-dimethyl-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 184.12119 Da
Monoisotopic Mass: -1.3
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]+	185.128466	142.0
[M+Na]+	207.110408	147.3
[M-H]-	183.113914	145.2
[M+NH4]+	202.155013	164.9
[M+K]+	223.084348	148.0
[M+H-H2O]+	167.118450	136.8
[M+HCOO]-	229.119391	160.9
[M+CH3COO]-	243.135041	181.5
[M+Na-2H]-	205.095856	145.4
[M]+	184.12064142	139.3
[M]-	184.12173858	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.