CID 80488207

3-cyclobutyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid

Structural Information

Molecular Formula
C8H11NO3
SMILES
C1CC(C1)C2=NOC(C2)C(=O)O
InChI
InChI=1S/C8H11NO3/c10-8(11)7-4-6(9-12-7)5-2-1-3-5/h5,7H,1-4H2,(H,10,11)
InChIKey
WWKDUCSKXGQXSY-UHFFFAOYSA-N
Compound name
3-cyclobutyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.0739 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.08118 129.1
[M+Na]+ 192.06312 134.1
[M-H]- 168.06662 133.5
[M+NH4]+ 187.10772 141.1
[M+K]+ 208.03706 137.3
[M+H-H2O]+ 152.07116 118.2
[M+HCOO]- 214.07210 147.6
[M+CH3COO]- 228.08775 177.7
[M+Na-2H]- 190.04857 132.8
[M]+ 169.07335 136.2
[M]- 169.07445 136.2
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

No patent data available for this compound.