CID 139026474

2361610-33-3

Structural Information

Molecular Formula
C11H17N3O
SMILES
CC(C)C1=NN=C(O1)[C@]23CC[C@H]2CCN3
InChI
InChI=1S/C11H17N3O/c1-7(2)9-13-14-10(15-9)11-5-3-8(11)4-6-12-11/h7-8,12H,3-6H2,1-2H3/t8-,11-/m0/s1
InChIKey
JTFICERTBALDEF-KWQFWETISA-N
Compound name
2-[(1S,5S)-2-azabicyclo[3.2.0]heptan-1-yl]-5-propan-2-yl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.13716 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.144436 144.3
[M+Na]+ 230.126378 150.2
[M-H]- 206.129884 147.2
[M+NH4]+ 225.170983 157.2
[M+K]+ 246.100318 151.7
[M+H-H2O]+ 190.134420 133.0
[M+HCOO]- 252.135361 159.4
[M+CH3COO]- 266.151011 155.6
[M+Na-2H]- 228.111826 146.8
[M]+ 207.13661142 151.3
[M]- 207.13770858 151.3
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.