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]+ 184.108046 138.6
[M+Na]+ 206.089988 146.8
[M-H]- 182.093494 140.9
[M+NH4]+ 201.134593 156.0
[M+K]+ 222.063928 146.3
[M+H-H2O]+ 166.098030 130.9
[M+HCOO]- 228.098971 157.6
[M+CH3COO]- 242.114621 177.0
[M+Na-2H]- 204.075436 141.1
[M]+ 183.10022142 138.1
[M]- 183.10131858 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.