CID 126818579

2307771-40-8

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]+ 128.07061 124.6
[M+Na]+ 150.05255 133.4
[M+NH4]+ 145.09715 133.1
[M+K]+ 166.02649 132.7
[M-H]- 126.05605 125.6
[M+Na-2H]- 148.03800 126.3
[M]+ 127.06278 125.7
[M]- 127.06388 125.7
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.