CID 132353983

2138076-54-5

Structural Information

Molecular Formula

C₉H₁₆N₂O₂

SMILES

CNC(=O)[C@@]12CCOC[C@@H]1CNC2

InChI

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

InChIKey

GEWOVSRAONPUNT-IONNQARKSA-N

Compound name

(3aS,7aS)-N-methyl-2,3,3a,4,6,7-hexahydro-1H-pyrano[3,4-c]pyrrole-7a-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 184.12119 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]+	185.128466	140.8
[M+Na]+	207.110408	145.2
[M-H]-	183.113914	142.1
[M+NH4]+	202.155013	161.3
[M+K]+	223.084348	144.4
[M+H-H2O]+	167.118450	135.1
[M+HCOO]-	229.119391	157.1
[M+CH3COO]-	243.135041	178.1
[M+Na-2H]-	205.095856	146.3
[M]+	184.12064142	134.8
[M]-	184.12173858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.