CID 146115814

2241139-71-7

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

CN1C[C@@H]2COC[C@@]2(C1)C(=O)O

InChI

InChI=1S/C8H13NO3/c1-9-2-6-3-12-5-8(6,4-9)7(10)11/h6H,2-5H2,1H3,(H,10,11)/t6-,8-/m1/s1

InChIKey

OEFWVODRJFMYAD-HTRCEHHLSA-N

Compound name

(3aR,6aR)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 171.08954 Da
Monoisotopic Mass: -3.0
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]+	172.096816	136.0
[M+Na]+	194.078758	143.3
[M-H]-	170.082264	138.2
[M+NH4]+	189.123363	159.4
[M+K]+	210.052698	143.3
[M+H-H2O]+	154.086800	131.9
[M+HCOO]-	216.087741	153.9
[M+CH3COO]-	230.103391	174.1
[M+Na-2H]-	192.064206	139.7
[M]+	171.08899142	134.4
[M]-	171.09008858	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.