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]+ 255.13394 155.4
[M+Na]+ 277.11588 160.7
[M-H]- 253.11938 158.8
[M+NH4]+ 272.16048 163.3
[M+K]+ 293.08982 163.8
[M+H-H2O]+ 237.12392 143.5
[M+HCOO]- 299.12486 171.3
[M+CH3COO]- 313.14051 193.4
[M+Na-2H]- 275.10133 157.8
[M]+ 254.12611 166.7
[M]- 254.12721 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.