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]+ 301.131356 170.7
[M+Na]+ 323.113298 177.1
[M-H]- 299.116804 174.7
[M+NH4]+ 318.157903 184.5
[M+K]+ 339.087238 175.0
[M+H-H2O]+ 283.121340 163.2
[M+HCOO]- 345.122281 181.5
[M+CH3COO]- 359.137931 198.9
[M+Na-2H]- 321.098746 171.7
[M]+ 300.12353142 172.8
[M]- 300.12462858 172.8
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.