CID 124254063

Tert-butyl 4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]piperidine-1-carboxylate

Structural Information

Molecular Formula
C14H22N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=NOC(=C2)CO
InChI
InChI=1S/C14H22N2O4/c1-14(2,3)19-13(18)16-6-4-10(5-7-16)12-8-11(9-17)20-15-12/h8,10,17H,4-7,9H2,1-3H3
InChIKey
QGNMMNAWJDVMDR-UHFFFAOYSA-N
Compound name
tert-butyl 4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.15796 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.165236 166.9
[M+Na]+ 305.147178 172.1
[M-H]- 281.150684 169.8
[M+NH4]+ 300.191783 179.9
[M+K]+ 321.121118 171.5
[M+H-H2O]+ 265.155220 159.5
[M+HCOO]- 327.156161 181.1
[M+CH3COO]- 341.171811 194.9
[M+Na-2H]- 303.132626 168.3
[M]+ 282.15741142 166.7
[M]- 282.15850858 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.