CID 449137

2-prolyl-5-tert-butyl-[1,3,4]oxadiazole

Structural Information

Molecular Formula
C11H17N3O2
SMILES
CC(C)(C)C1=NN=C(O1)C(=O)[C@@H]2CCCN2
InChI
InChI=1S/C11H17N3O2/c1-11(2,3)10-14-13-9(16-10)8(15)7-5-4-6-12-7/h7,12H,4-6H2,1-3H3/t7-/m0/s1
InChIKey
YUKGJYBQODPVBL-ZETCQYMHSA-N
Compound name
(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[(2S)-pyrrolidin-2-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

223.13208 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.13936 152.2
[M+Na]+ 246.12130 158.7
[M-H]- 222.12480 154.3
[M+NH4]+ 241.16590 167.8
[M+K]+ 262.09524 157.9
[M+H-H2O]+ 206.12934 144.9
[M+HCOO]- 268.13028 167.9
[M+CH3COO]- 282.14593 184.5
[M+Na-2H]- 244.10675 153.7
[M]+ 223.13153 150.6
[M]- 223.13263 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe