CID 66666095

5-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-4-oxazolecarboxylic acid

Structural Information

Molecular Formula
C10H14N2O5
SMILES
CC1=NC(=C(O1)NC(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C10H14N2O5/c1-5-11-6(8(13)14)7(16-5)12-9(15)17-10(2,3)4/h1-4H3,(H,12,15)(H,13,14)
InChIKey
FWTNREZOUJYXFA-UHFFFAOYSA-N
Compound name
2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

242.09027 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09755 152.1
[M+Na]+ 265.07949 159.7
[M-H]- 241.08299 154.5
[M+NH4]+ 260.12409 168.1
[M+K]+ 281.05343 160.6
[M+H-H2O]+ 225.08753 146.4
[M+HCOO]- 287.08847 172.3
[M+CH3COO]- 301.10412 190.7
[M+Na-2H]- 263.06494 155.8
[M]+ 242.08972 156.1
[M]- 242.09082 156.1
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