CID 88851549

1392811-96-9

Structural Information

Molecular Formula
C6H7NO3
SMILES
C1[C@H]2[C@@H](CO1)ON=C2C=O
InChI
InChI=1S/C6H7NO3/c8-1-5-4-2-9-3-6(4)10-7-5/h1,4,6H,2-3H2/t4-,6-/m1/s1
InChIKey
QARBOXPOXWBJBU-INEUFUBQSA-N
Compound name
(3aS,6aS)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,2]oxazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

141.04259 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.049866 123.7
[M+Na]+ 164.031808 132.7
[M-H]- 140.035314 128.2
[M+NH4]+ 159.076413 145.8
[M+K]+ 180.005748 134.4
[M+H-H2O]+ 124.039850 119.3
[M+HCOO]- 186.040791 145.3
[M+CH3COO]- 200.056441 170.0
[M+Na-2H]- 162.017256 130.6
[M]+ 141.04204142 125.6
[M]- 141.04313858 125.6
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

patents stripe