CID 28808650

4h,5h,6h-cyclopenta[d][1,2]oxazole-3-carbaldehyde

Structural Information

Molecular Formula
C7H7NO2
SMILES
C1CC2=C(C1)ON=C2C=O
InChI
InChI=1S/C7H7NO2/c9-4-6-5-2-1-3-7(5)10-8-6/h4H,1-3H2
InChIKey
LLWSLAFYWVMZEW-UHFFFAOYSA-N
Compound name
5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.04768 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.054956 124.0
[M+Na]+ 160.036898 133.7
[M-H]- 136.040404 128.2
[M+NH4]+ 155.081503 147.8
[M+K]+ 176.010838 133.6
[M+H-H2O]+ 120.044940 119.1
[M+HCOO]- 182.045881 147.6
[M+CH3COO]- 196.061531 170.4
[M+Na-2H]- 158.022346 130.5
[M]+ 137.04713142 125.7
[M]- 137.04822858 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.