CID 91647527

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

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CCC1=NOC(=N1)[C@H]2C[C@@H](CN2)O
InChI
InChI=1S/C8H13N3O2/c1-2-7-10-8(13-11-7)6-3-5(12)4-9-6/h5-6,9,12H,2-4H2,1H3/t5-,6+/m0/s1
InChIKey
CWEGJDPWSAGFTA-NTSWFWBYSA-N
Compound name
(3S,5R)-5-(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

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.108046 139.4
[M+Na]+ 206.089988 147.2
[M-H]- 182.093494 140.3
[M+NH4]+ 201.134593 156.1
[M+K]+ 222.063928 145.7
[M+H-H2O]+ 166.098030 131.9
[M+HCOO]- 228.098971 156.9
[M+CH3COO]- 242.114621 174.5
[M+Na-2H]- 204.075436 141.4
[M]+ 183.10022142 137.1
[M]- 183.10131858 137.1
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.