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 154.8
[M+Na]+ 252.14712 161.2
[M-H]- 228.15062 158.8
[M+NH4]+ 247.19172 172.3
[M+K]+ 268.12106 157.1
[M+H-H2O]+ 212.15516 144.6
[M+HCOO]- 274.15610 171.6
[M+CH3COO]- 288.17175 165.6
[M+Na-2H]- 250.13257 158.8
[M]+ 229.15735 149.2
[M]- 229.15845 149.2
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.