CID 657506

81461-73-6

Structural Information

Molecular Formula
C12H19N4
SMILES
C1CC[N+]2(C1)CCN(CC2)C3=NC=CC=N3
InChI
InChI=1S/C12H19N4/c1-2-9-16(8-1)10-6-15(7-11-16)12-13-4-3-5-14-12/h3-5H,1-2,6-11H2/q+1
InChIKey
RCXFJYVHZBXWRS-UHFFFAOYSA-N
Compound name
8-pyrimidin-2-yl-8-aza-5-azoniaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

96
Patents

219.16096 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16824 150.0
[M+Na]+ 242.15018 164.2
[M+NH4]+ 237.19478 161.1
[M+K]+ 258.12412 157.2
[M-H]- 218.15368 154.9
[M+Na-2H]- 240.13563 160.0
[M]+ 219.16041 153.8
[M]- 219.16151 153.8
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.