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]+ 198.123696 142.7
[M+Na]+ 220.105638 149.8
[M-H]- 196.109144 143.7
[M+NH4]+ 215.150243 160.6
[M+K]+ 236.079578 148.9
[M+H-H2O]+ 180.113680 135.8
[M+HCOO]- 242.114621 159.0
[M+CH3COO]- 256.130271 176.8
[M+Na-2H]- 218.091086 145.1
[M]+ 197.11587142 140.2
[M]- 197.11696858 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.