CID 43102246

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H15N3O
SMILES
CC(C1=NC(=NO1)C(C)(C)C)N
InChI
InChI=1S/C8H15N3O/c1-5(9)6-10-7(11-12-6)8(2,3)4/h5H,9H2,1-4H3
InChIKey
DPDGWAPICYFNTM-UHFFFAOYSA-N
Compound name
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.1215 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.12878 138.9
[M+Na]+ 192.11072 147.0
[M-H]- 168.11422 140.5
[M+NH4]+ 187.15532 157.1
[M+K]+ 208.08466 147.3
[M+H-H2O]+ 152.11876 132.4
[M+HCOO]- 214.11970 159.0
[M+CH3COO]- 228.13535 181.5
[M+Na-2H]- 190.09617 144.1
[M]+ 169.12095 139.6
[M]- 169.12205 139.6
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

No patent data available for this compound.