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]+ 154.04987 128.2
[M+Na]+ 176.03181 137.0
[M-H]- 152.03531 131.2
[M+NH4]+ 171.07641 150.5
[M+K]+ 192.00575 136.9
[M+H-H2O]+ 136.03985 123.5
[M+HCOO]- 198.04079 149.5
[M+CH3COO]- 212.05644 170.7
[M+Na-2H]- 174.01726 133.1
[M]+ 153.04204 128.9
[M]- 153.04314 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.