CID 71757062

2137432-91-6

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

C1COC2C1NC(C2)C(=O)O

InChI

InChI=1S/C7H11NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h4-6,8H,1-3H2,(H,9,10)

InChIKey

MKSLXHNNHFTOEE-UHFFFAOYSA-N

Compound name

3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 157.0739 Da
Monoisotopic Mass: -2.6
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]+	158.08118	132.5
[M+Na]+	180.06312	139.7
[M+NH4]+	175.10772	139.8
[M+K]+	196.03706	140.5
[M-H]-	156.06662	132.2
[M+Na-2H]-	178.04857	132.6
[M]+	157.07335	132.9
[M]-	157.07445	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe