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]+ 138.05496 124.0
[M+Na]+ 160.03690 133.7
[M-H]- 136.04040 128.2
[M+NH4]+ 155.08150 147.8
[M+K]+ 176.01084 133.6
[M+H-H2O]+ 120.04494 119.1
[M+HCOO]- 182.04588 147.6
[M+CH3COO]- 196.06153 170.4
[M+Na-2H]- 158.02235 130.5
[M]+ 137.04713 125.7
[M]- 137.04823 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.