CID 153512661

2137432-91-6

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

C1CO[C@H]2[C@@H]1NC(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)/t4-,5?,6-/m1/s1

InChIKey

MKSLXHNNHFTOEE-SPWIIUKKSA-N

Compound name

(3aR,6aR)-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: 9
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]+	158.081176	132.9
[M+Na]+	180.063118	139.1
[M-H]-	156.066624	133.6
[M+NH4]+	175.107723	154.0
[M+K]+	196.037058	138.5
[M+H-H2O]+	140.071160	128.3
[M+HCOO]-	202.072101	149.6
[M+CH3COO]-	216.087751	169.0
[M+Na-2H]-	178.048566	135.3
[M]+	157.07335142	128.8
[M]-	157.07444858	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe