CID 54595277

Tert-butyl n-[2-methyl-4-(1,2,4-oxadiazol-5-yl)butan-2-yl]carbamate

Structural Information

Molecular Formula
C12H21N3O3
SMILES
CC(C)(C)OC(=O)NC(C)(C)CCC1=NC=NO1
InChI
InChI=1S/C12H21N3O3/c1-11(2,3)17-10(16)15-12(4,5)7-6-9-13-8-14-18-9/h8H,6-7H2,1-5H3,(H,15,16)
InChIKey
DXAMISMCGAZTTC-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-methyl-4-(1,2,4-oxadiazol-5-yl)butan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1583 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.165576 161.6
[M+Na]+ 278.147518 167.6
[M-H]- 254.151024 163.1
[M+NH4]+ 273.192123 176.3
[M+K]+ 294.121458 168.2
[M+H-H2O]+ 238.155560 154.6
[M+HCOO]- 300.156501 180.1
[M+CH3COO]- 314.172151 195.5
[M+Na-2H]- 276.132966 167.8
[M]+ 255.15775142 165.8
[M]- 255.15884858 165.8
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.