CID 59332954

138742-19-5

Structural Information

Molecular Formula
C10H14N2O5
SMILES
CC(C)(C)OC(=O)NCC1=CC(=NO1)C(=O)O
InChI
InChI=1S/C10H14N2O5/c1-10(2,3)16-9(15)11-5-6-4-7(8(13)14)12-17-6/h4H,5H2,1-3H3,(H,11,15)(H,13,14)
InChIKey
FOYQJZMQGBWPOW-UHFFFAOYSA-N
Compound name
5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

242.09027 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.097546 152.6
[M+Na]+ 265.079488 159.3
[M-H]- 241.082994 154.6
[M+NH4]+ 260.124093 168.3
[M+K]+ 281.053428 160.1
[M+H-H2O]+ 225.087530 146.5
[M+HCOO]- 287.088471 172.8
[M+CH3COO]- 301.104121 189.4
[M+Na-2H]- 263.064936 156.8
[M]+ 242.08972142 156.1
[M]- 242.09081858 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