CID 43559508

2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine hydrochloride

Structural Information

Molecular Formula
C8H15N3O
SMILES
CCCC1=NC(=NO1)C(C)(C)N
InChI
InChI=1S/C8H15N3O/c1-4-5-6-10-7(11-12-6)8(2,3)9/h4-5,9H2,1-3H3
InChIKey
XCOKVKFVJAASPU-UHFFFAOYSA-N
Compound name
2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.1215 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.128776 138.4
[M+Na]+ 192.110718 146.7
[M-H]- 168.114224 139.8
[M+NH4]+ 187.155323 156.6
[M+K]+ 208.084658 146.4
[M+H-H2O]+ 152.118760 131.7
[M+HCOO]- 214.119701 159.5
[M+CH3COO]- 228.135351 181.3
[M+Na-2H]- 190.096166 144.8
[M]+ 169.12095142 139.8
[M]- 169.12204858 139.8
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.