CID 113280365

2241139-40-0

Structural Information

Molecular Formula
C12H19N3O3
SMILES
C1COCCC1C2=NOC(=N2)C3(CCOCC3)N
InChI
InChI=1S/C12H19N3O3/c13-12(3-7-17-8-4-12)11-14-10(15-18-11)9-1-5-16-6-2-9/h9H,1-8,13H2
InChIKey
CALRVZRJBTUHTL-UHFFFAOYSA-N
Compound name
4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.14264 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.14992 157.5
[M+Na]+ 276.13186 161.3
[M-H]- 252.13536 164.6
[M+NH4]+ 271.17646 169.9
[M+K]+ 292.10580 162.5
[M+H-H2O]+ 236.13990 148.7
[M+HCOO]- 298.14084 171.5
[M+CH3COO]- 312.15649 167.7
[M+Na-2H]- 274.11731 161.7
[M]+ 253.14209 151.8
[M]- 253.14319 151.8
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.