CID 178199971

Tert-butyl n-{2-[3-(hydroxymethyl)-1,2-oxazol-5-yl]propan-2-yl}carbamate

Structural Information

Molecular Formula
C12H20N2O4
SMILES
CC(C)(C)OC(=O)NC(C)(C)C1=CC(=NO1)CO
InChI
InChI=1S/C12H20N2O4/c1-11(2,3)17-10(16)13-12(4,5)9-6-8(7-15)14-18-9/h6,15H,7H2,1-5H3,(H,13,16)
InChIKey
XHFRKEOCJGYXTK-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[3-(hydroxymethyl)-1,2-oxazol-5-yl]propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1423 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.149576 159.8
[M+Na]+ 279.131518 166.1
[M-H]- 255.135024 161.7
[M+NH4]+ 274.176123 175.3
[M+K]+ 295.105458 166.6
[M+H-H2O]+ 239.139560 154.1
[M+HCOO]- 301.140501 178.3
[M+CH3COO]- 315.156151 193.6
[M+Na-2H]- 277.116966 165.2
[M]+ 256.14175142 163.4
[M]- 256.14284858 163.4
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.