CID 86811649

3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol hydrochloride

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CC(C)C1=NOC(=N1)C2(CCNC2)O
InChI
InChI=1S/C9H15N3O2/c1-6(2)7-11-8(14-12-7)9(13)3-4-10-5-9/h6,10,13H,3-5H2,1-2H3
InChIKey
UVFFEVXYPCMTRZ-UHFFFAOYSA-N
Compound name
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.11642 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12370 142.7
[M+Na]+ 220.10564 149.8
[M-H]- 196.10914 143.7
[M+NH4]+ 215.15024 160.6
[M+K]+ 236.07958 148.9
[M+H-H2O]+ 180.11368 135.8
[M+HCOO]- 242.11462 159.0
[M+CH3COO]- 256.13027 176.8
[M+Na-2H]- 218.09109 145.1
[M]+ 197.11587 140.2
[M]- 197.11697 140.2
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.