CID 75480798

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

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CC(C)C1=NC(=NO1)C2CNCCO2
InChI
InChI=1S/C9H15N3O2/c1-6(2)9-11-8(12-14-9)7-5-10-3-4-13-7/h6-7,10H,3-5H2,1-2H3
InChIKey
YKIMBMREHRVXEW-UHFFFAOYSA-N
Compound name
2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.11642 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12370 145.0
[M+Na]+ 220.10564 151.0
[M-H]- 196.10914 146.9
[M+NH4]+ 215.15024 158.2
[M+K]+ 236.07958 151.1
[M+H-H2O]+ 180.11368 136.5
[M+HCOO]- 242.11462 159.4
[M+CH3COO]- 256.13027 156.0
[M+Na-2H]- 218.09109 148.6
[M]+ 197.11587 142.2
[M]- 197.11697 142.2
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.