CID 60720687

Butyl[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amine hydrochloride

Structural Information

Molecular Formula
C8H15N3O
SMILES
CCCCNCC1=NC(=NO1)C
InChI
InChI=1S/C8H15N3O/c1-3-4-5-9-6-8-10-7(2)11-12-8/h9H,3-6H2,1-2H3
InChIKey
LOOYNIQZIHGAPH-UHFFFAOYSA-N
Compound name
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 137.4
[M+Na]+ 192.11072 145.3
[M-H]- 168.11422 138.9
[M+NH4]+ 187.15532 155.7
[M+K]+ 208.08466 145.0
[M+H-H2O]+ 152.11876 129.9
[M+HCOO]- 214.11970 160.7
[M+CH3COO]- 228.13535 181.7
[M+Na-2H]- 190.09617 144.1
[M]+ 169.12095 140.3
[M]- 169.12205 140.3
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.