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]+ 170.128776 137.4
[M+Na]+ 192.110718 145.3
[M-H]- 168.114224 138.9
[M+NH4]+ 187.155323 155.7
[M+K]+ 208.084658 145.0
[M+H-H2O]+ 152.118760 129.9
[M+HCOO]- 214.119701 160.7
[M+CH3COO]- 228.135351 181.7
[M+Na-2H]- 190.096166 144.1
[M]+ 169.12095142 140.3
[M]- 169.12204858 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.