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]+ 233.139696 151.2
[M+Na]+ 255.121638 159.2
[M-H]- 231.125144 154.8
[M+NH4]+ 250.166243 165.9
[M+K]+ 271.095578 156.0
[M+H-H2O]+ 215.129680 141.8
[M+HCOO]- 277.130621 169.7
[M+CH3COO]- 291.146271 162.7
[M+Na-2H]- 253.107086 157.0
[M]+ 232.13187142 149.0
[M]- 232.13296858 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.