CID 132344021

2138410-73-6

Structural Information

Molecular Formula
C11H17N3O
SMILES
CCC1=NN=C(O1)[C@]23CCC[C@H]2CNC3
InChI
InChI=1S/C11H17N3O/c1-2-9-13-14-10(15-9)11-5-3-4-8(11)6-12-7-11/h8,12H,2-7H2,1H3/t8-,11-/m0/s1
InChIKey
GJVAVBOMNKSZEY-KWQFWETISA-N
Compound name
2-[(3aR,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-5-ethyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.13716 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.14444 146.4
[M+Na]+ 230.12638 153.8
[M-H]- 206.12988 149.4
[M+NH4]+ 225.17098 167.2
[M+K]+ 246.10032 152.3
[M+H-H2O]+ 190.13442 139.3
[M+HCOO]- 252.13536 163.6
[M+CH3COO]- 266.15101 158.4
[M+Na-2H]- 228.11183 147.8
[M]+ 207.13661 143.9
[M]- 207.13771 143.9
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.