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

14
Patents

141.04259 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04987 123.7
[M+Na]+ 164.03181 132.7
[M-H]- 140.03531 128.2
[M+NH4]+ 159.07641 145.8
[M+K]+ 180.00575 134.4
[M+H-H2O]+ 124.03985 119.3
[M+HCOO]- 186.04079 145.3
[M+CH3COO]- 200.05644 170.0
[M+Na-2H]- 162.01726 130.6
[M]+ 141.04204 125.6
[M]- 141.04314 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