CID 139022595

Rac-tert-butyl (4ar,7as)-octahydrofuro[3,4-b]pyridine-4a-carboxylate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)[C@@]12CCCN[C@H]1COC2
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(14)12-5-4-6-13-9(12)7-15-8-12/h9,13H,4-8H2,1-3H3/t9-,12+/m0/s1
InChIKey
HYMCUSLRYVTGBT-JOYOIKCWSA-N
Compound name
tert-butyl (4aS,7aR)-2,3,4,5,7,7a-hexahydro-1H-furo[3,4-b]pyridine-4a-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.15215 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 154.1
[M+Na]+ 250.14137 158.5
[M-H]- 226.14487 155.3
[M+NH4]+ 245.18597 173.4
[M+K]+ 266.11531 158.2
[M+H-H2O]+ 210.14941 149.2
[M+HCOO]- 272.15035 167.0
[M+CH3COO]- 286.16600 184.0
[M+Na-2H]- 248.12682 158.8
[M]+ 227.15160 150.8
[M]- 227.15270 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.