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 154.8
[M+Na]+ 270.06159 163.2
[M-H]- 246.06509 156.6
[M+NH4]+ 265.10619 170.7
[M+K]+ 286.03553 162.1
[M+H-H2O]+ 230.06963 148.1
[M+HCOO]- 292.07057 171.1
[M+CH3COO]- 306.08622 191.0
[M+Na-2H]- 268.04704 160.1
[M]+ 247.07182 160.5
[M]- 247.07292 160.5
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.