CID 132353753

2138085-96-6

Structural Information

Molecular Formula
C10H17N3O
SMILES
CCC1=NN=C(O1)[C@@H]2CCCN[C@@H]2C
InChI
InChI=1S/C10H17N3O/c1-3-9-12-13-10(14-9)8-5-4-6-11-7(8)2/h7-8,11H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKey
GQDAZIGPMICNKK-HTQZYQBOSA-N
Compound name
2-ethyl-5-[(2R,3R)-2-methylpiperidin-3-yl]-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.13716 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.144436 145.9
[M+Na]+ 218.126378 152.6
[M-H]- 194.129884 147.3
[M+NH4]+ 213.170983 161.0
[M+K]+ 234.100318 150.6
[M+H-H2O]+ 178.134420 137.3
[M+HCOO]- 240.135361 161.8
[M+CH3COO]- 254.151011 180.8
[M+Na-2H]- 216.111826 148.8
[M]+ 195.13661142 142.5
[M]- 195.13770858 142.5
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.