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]+ 218.128776 149.8
[M+Na]+ 240.110718 158.9
[M-H]- 216.114224 154.9
[M+NH4]+ 235.155323 166.0
[M+K]+ 256.084658 156.8
[M+H-H2O]+ 200.118760 142.2
[M+HCOO]- 262.119701 171.2
[M+CH3COO]- 276.135351 189.5
[M+Na-2H]- 238.096166 155.8
[M]+ 217.12095142 150.5
[M]- 217.12204858 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