CID 119031314

1803589-24-3

Structural Information

Molecular Formula
C12H18N2O5
SMILES
CC(C)(C)OC(=O)NC(C)(C)C1=NOC=C1C(=O)O
InChI
InChI=1S/C12H18N2O5/c1-11(2,3)19-10(17)13-12(4,5)8-7(9(15)16)6-18-14-8/h6H,1-5H3,(H,13,17)(H,15,16)
InChIKey
RDNQFBQCQXOTQO-UHFFFAOYSA-N
Compound name
3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.12158 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12886 160.4
[M+Na]+ 293.11080 166.6
[M-H]- 269.11430 162.5
[M+NH4]+ 288.15540 175.1
[M+K]+ 309.08474 167.7
[M+H-H2O]+ 253.11884 154.9
[M+HCOO]- 315.11978 178.4
[M+CH3COO]- 329.13543 195.9
[M+Na-2H]- 291.09625 165.1
[M]+ 270.12103 164.2
[M]- 270.12213 164.2
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.