CID 86811653

1820581-45-0

Structural Information

Molecular Formula
C7H11N3O2
SMILES
CC1=NOC(=N1)[C@H]2C[C@@H](CN2)O
InChI
InChI=1S/C7H11N3O2/c1-4-9-7(12-10-4)6-2-5(11)3-8-6/h5-6,8,11H,2-3H2,1H3/t5-,6+/m0/s1
InChIKey
RQRFWAWOFJENSO-NTSWFWBYSA-N
Compound name
(3S,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.08513 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09241 134.9
[M+Na]+ 192.07435 143.1
[M-H]- 168.07785 136.0
[M+NH4]+ 187.11895 152.1
[M+K]+ 208.04829 141.9
[M+H-H2O]+ 152.08239 127.6
[M+HCOO]- 214.08333 152.7
[M+CH3COO]- 228.09898 147.3
[M+Na-2H]- 190.05980 137.4
[M]+ 169.08458 132.3
[M]- 169.08568 132.3
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.