CID 132351039

2137684-14-9

Structural Information

Molecular Formula

C₈H₁₄N₂O₂

SMILES

C1COC[C@H]2[C@@]1(CNC2)C(=O)N

InChI

InChI=1S/C8H14N2O2/c9-7(11)8-1-2-12-4-6(8)3-10-5-8/h6,10H,1-5H2,(H2,9,11)/t6-,8+/m0/s1

InChIKey

OYUCODWDMDHVDV-POYBYMJQSA-N

Compound name

(3aS,7aS)-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: 170.10553 Da
Monoisotopic Mass: -1.5
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]+	171.112806	136.6
[M+Na]+	193.094748	141.4
[M-H]-	169.098254	137.5
[M+NH4]+	188.139353	157.3
[M+K]+	209.068688	140.4
[M+H-H2O]+	153.102790	131.0
[M+HCOO]-	215.103731	152.5
[M+CH3COO]-	229.119381	175.1
[M+Na-2H]-	191.080196	141.6
[M]+	170.10498142	129.3
[M]-	170.10607858	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.