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]+ 170.081176 129.1
[M+Na]+ 192.063118 134.1
[M-H]- 168.066624 133.5
[M+NH4]+ 187.107723 141.1
[M+K]+ 208.037058 137.3
[M+H-H2O]+ 152.071160 118.2
[M+HCOO]- 214.072101 147.6
[M+CH3COO]- 228.087751 177.7
[M+Na-2H]- 190.048566 132.8
[M]+ 169.07335142 136.2
[M]- 169.07444858 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.