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

18
Patents

169.1215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.128776 138.7
[M+Na]+ 192.110718 147.1
[M-H]- 168.114224 140.1
[M+NH4]+ 187.155323 156.9
[M+K]+ 208.084658 146.8
[M+H-H2O]+ 152.118760 132.0
[M+HCOO]- 214.119701 159.8
[M+CH3COO]- 228.135351 180.7
[M+Na-2H]- 190.096166 145.1
[M]+ 169.12095142 140.0
[M]- 169.12204858 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