CID 29263175

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

Structural Information

Molecular Formula
C12H15N3O
SMILES
CC(C)(C)C1=NN=C(O1)C2=CC(=CC=C2)N
InChI
InChI=1S/C12H15N3O/c1-12(2,3)11-15-14-10(16-11)8-5-4-6-9(13)7-8/h4-7H,13H2,1-3H3
InChIKey
KZVYJIALRIHGLZ-UHFFFAOYSA-N
Compound name
3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

217.1215 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 149.8
[M+Na]+ 240.11072 158.9
[M-H]- 216.11422 154.9
[M+NH4]+ 235.15532 166.0
[M+K]+ 256.08466 156.8
[M+H-H2O]+ 200.11876 142.2
[M+HCOO]- 262.11970 171.2
[M+CH3COO]- 276.13535 189.5
[M+Na-2H]- 238.09617 155.8
[M]+ 217.12095 150.5
[M]- 217.12205 150.5
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

patents stripe