CID 97289665

2287246-70-0

Structural Information

Molecular Formula
C9H13N3O2
SMILES
C1CC1C2=NOC(=N2)[C@H]3C[C@@H](CN3)O
InChI
InChI=1S/C9H13N3O2/c13-6-3-7(10-4-6)9-11-8(12-14-9)5-1-2-5/h5-7,10,13H,1-4H2/t6-,7+/m0/s1
InChIKey
ZRGVRQWXMJZKNN-NKWVEPMBSA-N
Compound name
(3S,5R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10077 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 144.6
[M+Na]+ 218.08999 154.1
[M-H]- 194.09349 149.3
[M+NH4]+ 213.13459 156.0
[M+K]+ 234.06393 150.5
[M+H-H2O]+ 178.09803 136.9
[M+HCOO]- 240.09897 162.0
[M+CH3COO]- 254.11462 156.1
[M+Na-2H]- 216.07544 146.2
[M]+ 195.10022 143.9
[M]- 195.10132 143.9
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.