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 158.7
[M+Na]+ 276.13186 168.7
[M+NH4]+ 271.17646 167.2
[M+K]+ 292.10580 164.6
[M-H]- 252.13536 166.4
[M+Na-2H]- 274.11731 164.3
[M]+ 253.14209 162.2
[M]- 253.14319 162.2
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.