CID 131422587

2091871-85-9

Structural Information

Molecular Formula
C14H21ClN2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=NOC(=C2)CCl
InChI
InChI=1S/C14H21ClN2O3/c1-14(2,3)19-13(18)17-6-4-10(5-7-17)12-8-11(9-15)20-16-12/h8,10H,4-7,9H2,1-3H3
InChIKey
IVMXQYIAOYWZNN-UHFFFAOYSA-N
Compound name
tert-butyl 4-[5-(chloromethyl)-1,2-oxazol-3-yl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.12408 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.13136 168.4
[M+Na]+ 323.11330 179.0
[M+NH4]+ 318.15790 174.7
[M+K]+ 339.08724 176.2
[M-H]- 299.11680 170.1
[M+Na-2H]- 321.09875 171.9
[M]+ 300.12353 170.5
[M]- 300.12463 170.5
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.