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]+ 208.144436 146.4
[M+Na]+ 230.126378 153.8
[M-H]- 206.129884 149.4
[M+NH4]+ 225.170983 167.2
[M+K]+ 246.100318 152.3
[M+H-H2O]+ 190.134420 139.3
[M+HCOO]- 252.135361 163.6
[M+CH3COO]- 266.151011 158.4
[M+Na-2H]- 228.111826 147.8
[M]+ 207.13661142 143.9
[M]- 207.13770858 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.