CID 66728878

2-tert-butyl-1,3-oxazole-5-carboxylic acid

Structural Information

Molecular Formula
C8H11NO3
SMILES
CC(C)(C)C1=NC=C(O1)C(=O)O
InChI
InChI=1S/C8H11NO3/c1-8(2,3)7-9-4-5(12-7)6(10)11/h4H,1-3H3,(H,10,11)
InChIKey
LENAXFKYNMFUKU-UHFFFAOYSA-N
Compound name
2-tert-butyl-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

169.0739 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.08118 134.1
[M+Na]+ 192.06312 142.9
[M-H]- 168.06662 136.4
[M+NH4]+ 187.10772 153.4
[M+K]+ 208.03706 143.2
[M+H-H2O]+ 152.07116 129.2
[M+HCOO]- 214.07210 154.4
[M+CH3COO]- 228.08775 175.2
[M+Na-2H]- 190.04857 140.0
[M]+ 169.07335 136.4
[M]- 169.07445 136.4
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