CID 3086780

1,3-diazaspiro(4.5)dec-2-ene, 1-methyl-2-(2-pyridyl)-

Structural Information

Molecular Formula
C14H19N3
SMILES
CN1C(=NCC12CCCCC2)C3=CC=CC=N3
InChI
InChI=1S/C14H19N3/c1-17-13(12-7-3-6-10-15-12)16-11-14(17)8-4-2-5-9-14/h3,6-7,10H,2,4-5,8-9,11H2,1H3
InChIKey
VBDCETCMMGIEPF-UHFFFAOYSA-N
Compound name
1-methyl-2-pyridin-2-yl-1,3-diazaspiro[4.5]dec-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1579 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.16518 155.4
[M+Na]+ 252.14712 168.6
[M+NH4]+ 247.19172 165.8
[M+K]+ 268.12106 160.6
[M-H]- 228.15062 159.6
[M+Na-2H]- 250.13257 164.9
[M]+ 229.15735 158.6
[M]- 229.15845 158.6
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.