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]+ 271.128856 160.4
[M+Na]+ 293.110798 166.6
[M-H]- 269.114304 162.5
[M+NH4]+ 288.155403 175.1
[M+K]+ 309.084738 167.7
[M+H-H2O]+ 253.118840 154.9
[M+HCOO]- 315.119781 178.4
[M+CH3COO]- 329.135431 195.9
[M+Na-2H]- 291.096246 165.1
[M]+ 270.12103142 164.2
[M]- 270.12212858 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.