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]+ 256.16558 161.6
[M+Na]+ 278.14752 167.6
[M-H]- 254.15102 163.1
[M+NH4]+ 273.19212 176.3
[M+K]+ 294.12146 168.2
[M+H-H2O]+ 238.15556 154.6
[M+HCOO]- 300.15650 180.1
[M+CH3COO]- 314.17215 195.5
[M+Na-2H]- 276.13297 167.8
[M]+ 255.15775 165.8
[M]- 255.15885 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.