CID 139599680

2696257-99-3

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

C1[C@H]2COC[C@]2(CN1)CO

InChI

InChI=1S/C7H13NO2/c9-4-7-3-8-1-6(7)2-10-5-7/h6,8-9H,1-5H2/t6-,7-/m0/s1

InChIKey

ZTKBENAYKANNKV-BQBZGAKWSA-N

Compound name

[(3aR,6aS)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrol-3a-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 143.09464 Da
Monoisotopic Mass: -1.1
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]+	144.101916	130.2
[M+Na]+	166.083858	136.6
[M-H]-	142.087364	130.7
[M+NH4]+	161.128463	153.8
[M+K]+	182.057798	135.7
[M+H-H2O]+	126.091900	125.8
[M+HCOO]-	188.092841	147.5
[M+CH3COO]-	202.108491	142.8
[M+Na-2H]-	164.069306	135.5
[M]+	143.09409142	125.9
[M]-	143.09518858	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.