CID 155821855

2490432-73-8

Structural Information

Molecular Formula
C12H18N2O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=NC=C(O2)CO
InChI
InChI=1S/C12H18N2O4/c1-12(2,3)18-11(16)14-5-8(6-14)10-13-4-9(7-15)17-10/h4,8,15H,5-7H2,1-3H3
InChIKey
ZWCGBGKMZDUHIG-UHFFFAOYSA-N
Compound name
tert-butyl 3-[5-(hydroxymethyl)-1,3-oxazol-2-yl]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.12666 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.133936 155.4
[M+Na]+ 277.115878 160.7
[M-H]- 253.119384 158.8
[M+NH4]+ 272.160483 163.3
[M+K]+ 293.089818 163.8
[M+H-H2O]+ 237.123920 143.5
[M+HCOO]- 299.124861 171.3
[M+CH3COO]- 313.140511 193.4
[M+Na-2H]- 275.101326 157.8
[M]+ 254.12611142 166.7
[M]- 254.12720858 166.7
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.