CID 6852124

1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-(methylamino)ethanone

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CC(C)(C)C1=NN=C(O1)C(=O)CNC
InChI
InChI=1S/C9H15N3O2/c1-9(2,3)8-12-11-7(14-8)6(13)5-10-4/h10H,5H2,1-4H3
InChIKey
CLBJJWUUSJAAPJ-UHFFFAOYSA-N
Compound name
1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-(methylamino)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

197.11642 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12370 144.9
[M+Na]+ 220.10564 152.8
[M-H]- 196.10914 146.9
[M+NH4]+ 215.15024 162.1
[M+K]+ 236.07958 153.0
[M+H-H2O]+ 180.11368 138.1
[M+HCOO]- 242.11462 165.7
[M+CH3COO]- 256.13027 186.4
[M+Na-2H]- 218.09109 150.7
[M]+ 197.11587 147.7
[M]- 197.11697 147.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe