CID 86775677

3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CCC1=NOC(=N1)C2(CCNC2)O
InChI
InChI=1S/C8H13N3O2/c1-2-6-10-7(13-11-6)8(12)3-4-9-5-8/h9,12H,2-5H2,1H3
InChIKey
ZTMXPLNGHRCQON-UHFFFAOYSA-N
Compound name
3-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10077 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.10805 137.7
[M+Na]+ 206.08999 145.5
[M-H]- 182.09349 138.6
[M+NH4]+ 201.13459 156.1
[M+K]+ 222.06393 144.3
[M+H-H2O]+ 166.09803 130.6
[M+HCOO]- 228.09897 155.3
[M+CH3COO]- 242.11462 149.8
[M+Na-2H]- 204.07544 141.7
[M]+ 183.10022 135.3
[M]- 183.10132 135.3
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.