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 124.2
[M+Na]+ 150.05255 131.7
[M-H]- 126.05605 126.3
[M+NH4]+ 145.09715 147.4
[M+K]+ 166.02649 131.3
[M+H-H2O]+ 110.06059 119.5
[M+HCOO]- 172.06153 143.6
[M+CH3COO]- 186.07718 165.6
[M+Na-2H]- 148.03800 128.7
[M]+ 127.06278 120.7
[M]- 127.06388 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.