CID 177799903

5-(2-{[(tert-butoxy)carbonyl]amino}ethyl)-1,3-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C11H16N2O5
SMILES
CC(C)(C)OC(=O)NCCC1=C(N=CO1)C(=O)O
InChI
InChI=1S/C11H16N2O5/c1-11(2,3)18-10(16)12-5-4-7-8(9(14)15)13-6-17-7/h6H,4-5H2,1-3H3,(H,12,16)(H,14,15)
InChIKey
DRFQGRAWLKXSFP-UHFFFAOYSA-N
Compound name
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.10593 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.113206 157.3
[M+Na]+ 279.095148 163.5
[M-H]- 255.098654 159.1
[M+NH4]+ 274.139753 172.4
[M+K]+ 295.069088 164.2
[M+H-H2O]+ 239.103190 151.0
[M+HCOO]- 301.104131 177.1
[M+CH3COO]- 315.119781 192.4
[M+Na-2H]- 277.080596 161.0
[M]+ 256.10538142 161.2
[M]- 256.10647858 161.2
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.