CID 126818579

Rac-(3ar,6ar)-hexahydro-2h-furo[2,3-c]pyrrol-6-one

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1CO[C@H]2[C@@H]1CNC2=O
InChI
InChI=1S/C6H9NO2/c8-6-5-4(3-7-6)1-2-9-5/h4-5H,1-3H2,(H,7,8)/t4-,5-/m0/s1
InChIKey
VJKXIXOYJUBUMN-WHFBIAKZSA-N
Compound name
(3aS,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-c]pyrrol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.06333 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 124.2
[M+Na]+ 150.052548 131.7
[M-H]- 126.056054 126.3
[M+NH4]+ 145.097153 147.4
[M+K]+ 166.026488 131.3
[M+H-H2O]+ 110.060590 119.5
[M+HCOO]- 172.061531 143.6
[M+CH3COO]- 186.077181 165.6
[M+Na-2H]- 148.037996 128.7
[M]+ 127.06278142 120.7
[M]- 127.06387858 120.7
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.