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]+ 196.108046 144.6
[M+Na]+ 218.089988 154.1
[M-H]- 194.093494 149.3
[M+NH4]+ 213.134593 156.0
[M+K]+ 234.063928 150.5
[M+H-H2O]+ 178.098030 136.9
[M+HCOO]- 240.098971 162.0
[M+CH3COO]- 254.114621 156.1
[M+Na-2H]- 216.075436 146.2
[M]+ 195.10022142 143.9
[M]- 195.10131858 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.