CID 130847189

2-[(2r,4r)-4-methoxypyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CC1=NN=C(O1)[C@H]2C[C@H](CN2)OC
InChI
InChI=1S/C8H13N3O2/c1-5-10-11-8(13-5)7-3-6(12-2)4-9-7/h6-7,9H,3-4H2,1-2H3/t6-,7-/m1/s1
InChIKey
WDJBINOWWIXZQF-RNFRBKRXSA-N
Compound name
2-[(2R,4R)-4-methoxypyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10077 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.10805 138.6
[M+Na]+ 206.08999 146.8
[M-H]- 182.09349 140.9
[M+NH4]+ 201.13459 156.0
[M+K]+ 222.06393 146.3
[M+H-H2O]+ 166.09803 130.9
[M+HCOO]- 228.09897 157.6
[M+CH3COO]- 242.11462 177.0
[M+Na-2H]- 204.07544 141.1
[M]+ 183.10022 138.1
[M]- 183.10132 138.1
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.