CID 82597890

2-(3-methyl-1,2-oxazol-5-yl)butanoic acid

Structural Information

Molecular Formula
C8H11NO3
SMILES
CCC(C1=CC(=NO1)C)C(=O)O
InChI
InChI=1S/C8H11NO3/c1-3-6(8(10)11)7-4-5(2)9-12-7/h4,6H,3H2,1-2H3,(H,10,11)
InChIKey
JNYOCSKSPFZSSN-UHFFFAOYSA-N
Compound name
2-(3-methyl-1,2-oxazol-5-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

169.0739 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.081176 134.9
[M+Na]+ 192.063118 142.8
[M-H]- 168.066624 136.8
[M+NH4]+ 187.107723 153.8
[M+K]+ 208.037058 143.1
[M+H-H2O]+ 152.071160 129.2
[M+HCOO]- 214.072101 155.6
[M+CH3COO]- 228.087751 176.4
[M+Na-2H]- 190.048566 138.5
[M]+ 169.07335142 137.1
[M]- 169.07444858 137.1
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