CID 3035105

63990-64-7

Structural Information

Molecular Formula
C13H17N3O
SMILES
CN1C2CCC1CN(C2)C(=O)C3=CC=NC=C3
InChI
InChI=1S/C13H17N3O/c1-15-11-2-3-12(15)9-16(8-11)13(17)10-4-6-14-7-5-10/h4-7,11-12H,2-3,8-9H2,1H3
InChIKey
LPFJBUTXCFPAMS-UHFFFAOYSA-N
Compound name
(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-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 154.4
[M+Na]+ 254.12638 160.9
[M-H]- 230.12988 155.8
[M+NH4]+ 249.17098 171.4
[M+K]+ 270.10032 157.4
[M+H-H2O]+ 214.13442 145.5
[M+HCOO]- 276.13536 169.1
[M+CH3COO]- 290.15101 165.0
[M+Na-2H]- 252.11183 157.3
[M]+ 231.13661 151.2
[M]- 231.13771 151.2
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.