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]+ 198.123696 145.0
[M+Na]+ 220.105638 151.0
[M-H]- 196.109144 146.9
[M+NH4]+ 215.150243 158.2
[M+K]+ 236.079578 151.1
[M+H-H2O]+ 180.113680 136.5
[M+HCOO]- 242.114621 159.4
[M+CH3COO]- 256.130271 156.0
[M+Na-2H]- 218.091086 148.6
[M]+ 197.11587142 142.2
[M]- 197.11696858 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.