CID 91662972

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

Structural Information

Molecular Formula
C9H14ClN3O3
SMILES
CC(C)(C)OC(=O)NCC1=NC(=NO1)CCl
InChI
InChI=1S/C9H14ClN3O3/c1-9(2,3)15-8(14)11-5-7-12-6(4-10)13-16-7/h4-5H2,1-3H3,(H,11,14)
InChIKey
DYBYYSCJKNRUCY-UHFFFAOYSA-N
Compound name
tert-butyl N-[[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.07237 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.07965 153.3
[M+Na]+ 270.06159 162.9
[M+NH4]+ 265.10619 158.7
[M+K]+ 286.03553 161.3
[M-H]- 246.06509 152.9
[M+Na-2H]- 268.04704 156.3
[M]+ 247.07182 154.5
[M]- 247.07292 154.5
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.