CID 25252402

2118016-83-2

Structural Information

Molecular Formula
C12H16N4O
SMILES
C1CC(CN(C1)C2=NC3=C(O2)C=CC=N3)CN
InChI
InChI=1S/C12H16N4O/c13-7-9-3-2-6-16(8-9)12-15-11-10(17-12)4-1-5-14-11/h1,4-5,9H,2-3,6-8,13H2
InChIKey
HTPJMLAFRPQOSJ-UHFFFAOYSA-N
Compound name
[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.13242 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.13970 151.2
[M+Na]+ 255.12164 159.2
[M-H]- 231.12514 154.8
[M+NH4]+ 250.16624 165.9
[M+K]+ 271.09558 156.0
[M+H-H2O]+ 215.12968 141.8
[M+HCOO]- 277.13062 169.7
[M+CH3COO]- 291.14627 162.7
[M+Na-2H]- 253.10709 157.0
[M]+ 232.13187 149.0
[M]- 232.13297 149.0
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.