CID 3035106

63990-65-8

Structural Information

Molecular Formula
C13H17N3O
SMILES
CN1CC2CCC(C1)N2C(=O)C3=CC=NC=C3
InChI
InChI=1S/C13H17N3O/c1-15-8-11-2-3-12(9-15)16(11)13(17)10-4-6-14-7-5-10/h4-7,11-12H,2-3,8-9H2,1H3
InChIKey
UUTBHLBAOBZVBU-UHFFFAOYSA-N
Compound name
(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-pyridin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.13716 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14444 154.1
[M+Na]+ 254.12638 165.8
[M+NH4]+ 249.17098 162.3
[M+K]+ 270.10032 161.1
[M-H]- 230.12988 155.4
[M+Na-2H]- 252.11183 158.1
[M]+ 231.13661 155.9
[M]- 231.13771 155.9
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.