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 170.7
[M+Na]+ 323.11330 177.1
[M-H]- 299.11680 174.7
[M+NH4]+ 318.15790 184.5
[M+K]+ 339.08724 175.0
[M+H-H2O]+ 283.12134 163.2
[M+HCOO]- 345.12228 181.5
[M+CH3COO]- 359.13793 198.9
[M+Na-2H]- 321.09875 171.7
[M]+ 300.12353 172.8
[M]- 300.12463 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.