CID 23006343

2-(dimethyl-1,2-oxazol-4-yl)propanoic acid

Structural Information

Molecular Formula
C8H11NO3
SMILES
CC1=C(C(=NO1)C)C(C)C(=O)O
InChI
InChI=1S/C8H11NO3/c1-4(8(10)11)7-5(2)9-12-6(7)3/h4H,1-3H3,(H,10,11)
InChIKey
AQRVUMXOCHIWOV-UHFFFAOYSA-N
Compound name
2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 134.1
[M+Na]+ 192.063118 143.0
[M-H]- 168.066624 136.4
[M+NH4]+ 187.107723 153.4
[M+K]+ 208.037058 143.3
[M+H-H2O]+ 152.071160 128.7
[M+HCOO]- 214.072101 154.8
[M+CH3COO]- 228.087751 177.6
[M+Na-2H]- 190.048566 137.1
[M]+ 169.07335142 136.7
[M]- 169.07444858 136.7
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.