CID 112605838

1565112-25-5

Structural Information

Molecular Formula
C10H15NO4
SMILES
CC1=C(OC(=N1)COC(C)(C)C)C(=O)O
InChI
InChI=1S/C10H15NO4/c1-6-8(9(12)13)15-7(11-6)5-14-10(2,3)4/h5H2,1-4H3,(H,12,13)
InChIKey
CAOSWUHZWWHTRP-UHFFFAOYSA-N
Compound name
4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

213.10011 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.107386 145.7
[M+Na]+ 236.089328 154.3
[M-H]- 212.092834 148.0
[M+NH4]+ 231.133933 163.4
[M+K]+ 252.063268 154.7
[M+H-H2O]+ 196.097370 140.5
[M+HCOO]- 258.098311 165.5
[M+CH3COO]- 272.113961 184.6
[M+Na-2H]- 234.074776 150.0
[M]+ 213.09956142 150.6
[M]- 213.10065858 150.6
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