CID 14743847

1823037-19-9

Structural Information

Molecular Formula
C7H9NO2
SMILES
C1CC2C(C1)ON=C2C=O
InChI
InChI=1S/C7H9NO2/c9-4-6-5-2-1-3-7(5)10-8-6/h4-5,7H,1-3H2
InChIKey
POIRGZWXTGKTOW-UHFFFAOYSA-N
Compound name
4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.06332 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 126.0
[M+Na]+ 162.05254 134.6
[M-H]- 138.05604 129.8
[M+NH4]+ 157.09714 149.6
[M+K]+ 178.02648 134.7
[M+H-H2O]+ 122.06058 121.0
[M+HCOO]- 184.06152 148.1
[M+CH3COO]- 198.07717 170.8
[M+Na-2H]- 160.03799 131.5
[M]+ 139.06277 126.3
[M]- 139.06387 126.3
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.