CID 54592652

1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine

Structural Information

Molecular Formula
C10H18N4O
SMILES
CCC1=NC(=NO1)CN2CCCC(C2)N
InChI
InChI=1S/C10H18N4O/c1-2-10-12-9(13-15-10)7-14-5-3-4-8(11)6-14/h8H,2-7,11H2,1H3
InChIKey
ZCDIOCPFJFEXGB-UHFFFAOYSA-N
Compound name
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.14806 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.155336 149.4
[M+Na]+ 233.137278 155.7
[M-H]- 209.140784 151.7
[M+NH4]+ 228.181883 164.0
[M+K]+ 249.111218 154.1
[M+H-H2O]+ 193.145320 140.2
[M+HCOO]- 255.146261 167.3
[M+CH3COO]- 269.161911 187.7
[M+Na-2H]- 231.122726 152.4
[M]+ 210.14751142 146.2
[M]- 210.14860858 146.2
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.