CID 139022438

2741682-38-0

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

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

InChI

InChI=1S/C7H11NO2/c9-7-6-4-8-3-5(6)1-2-10-7/h5-6,8H,1-4H2/t5-,6+/m1/s1

InChIKey

ATJYIRBDNFPWBS-RITPCOANSA-N

Compound name

(3aR,7aS)-2,3,3a,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 141.07898 Da
Monoisotopic Mass: -0.2
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]+	142.086256	127.6
[M+Na]+	164.068198	133.9
[M-H]-	140.071704	129.3
[M+NH4]+	159.112803	148.5
[M+K]+	180.042138	133.1
[M+H-H2O]+	124.076240	122.2
[M+HCOO]-	186.077181	144.6
[M+CH3COO]-	200.092831	168.4
[M+Na-2H]-	162.053646	133.2
[M]+	141.07843142	122.4
[M]-	141.07952858	122.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.