CID 23006221

2378502-62-4

Structural Information

Molecular Formula
C7H7NO3
SMILES
C1CC2=C(C1)ON=C2C(=O)O
InChI
InChI=1S/C7H7NO3/c9-7(10)6-4-2-1-3-5(4)11-8-6/h1-3H2,(H,9,10)
InChIKey
DCFBJOQPEAXQKB-UHFFFAOYSA-N
Compound name
5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.04259 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.049866 128.2
[M+Na]+ 176.031808 137.0
[M-H]- 152.035314 131.2
[M+NH4]+ 171.076413 150.5
[M+K]+ 192.005748 136.9
[M+H-H2O]+ 136.039850 123.5
[M+HCOO]- 198.040791 149.5
[M+CH3COO]- 212.056441 170.7
[M+Na-2H]- 174.017256 133.1
[M]+ 153.04204142 128.9
[M]- 153.04313858 128.9
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.