CID 17604994

1244059-96-8

Structural Information

Molecular Formula
C8H15N3O
SMILES
CC(C)(C)C1=NC(=NO1)CCN
InChI
InChI=1S/C8H15N3O/c1-8(2,3)7-10-6(4-5-9)11-12-7/h4-5,9H2,1-3H3
InChIKey
KHDOXPYPDQYYMF-UHFFFAOYSA-N
Compound name
2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

169.1215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.12878 138.7
[M+Na]+ 192.11072 147.1
[M-H]- 168.11422 140.1
[M+NH4]+ 187.15532 156.9
[M+K]+ 208.08466 146.8
[M+H-H2O]+ 152.11876 132.0
[M+HCOO]- 214.11970 159.8
[M+CH3COO]- 228.13535 180.7
[M+Na-2H]- 190.09617 145.1
[M]+ 169.12095 140.0
[M]- 169.12205 140.0
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