CID 51072245

870704-25-9

Structural Information

Molecular Formula
C7H7NO3
SMILES
C1CC1C2=NOC(=C2)C(=O)O
InChI
InChI=1S/C7H7NO3/c9-7(10)6-3-5(8-11-6)4-1-2-4/h3-4H,1-2H2,(H,9,10)
InChIKey
IMFLJHJZORXYNB-UHFFFAOYSA-N
Compound name
3-cyclopropyl-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

153.04259 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 133.0
[M+Na]+ 176.03181 145.3
[M+NH4]+ 171.07641 140.9
[M+K]+ 192.00575 144.5
[M-H]- 152.03531 141.9
[M+Na-2H]- 174.01726 140.3
[M]+ 153.04204 138.2
[M]- 153.04314 138.2
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

patents stripe