CID 45792362

Tert-butyl n-{2-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl}carbamate

Structural Information

Molecular Formula
C11H18ClN3O3
SMILES
CC(C)(C)OC(=O)NC(C)(C)C1=NOC(=N1)CCl
InChI
InChI=1S/C11H18ClN3O3/c1-10(2,3)17-9(16)14-11(4,5)8-13-7(6-12)18-15-8/h6H2,1-5H3,(H,14,16)
InChIKey
LCKVJSWRLFHGCR-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.10367 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11095 163.8
[M+Na]+ 298.09289 171.7
[M-H]- 274.09639 165.8
[M+NH4]+ 293.13749 178.7
[M+K]+ 314.06683 170.6
[M+H-H2O]+ 258.10093 157.6
[M+HCOO]- 320.10187 177.9
[M+CH3COO]- 334.11752 197.4
[M+Na-2H]- 296.07834 169.2
[M]+ 275.10312 169.7
[M]- 275.10422 169.7
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.