CID 112605838

2-[(tert-butoxy)methyl]-4-methyl-1,3-oxazole-5-carboxylic acid

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

17
Patents

213.10011 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10739 145.7
[M+Na]+ 236.08933 154.3
[M-H]- 212.09283 148.0
[M+NH4]+ 231.13393 163.4
[M+K]+ 252.06327 154.7
[M+H-H2O]+ 196.09737 140.5
[M+HCOO]- 258.09831 165.5
[M+CH3COO]- 272.11396 184.6
[M+Na-2H]- 234.07478 150.0
[M]+ 213.09956 150.6
[M]- 213.10066 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