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

98
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 151.2
[M+Na]+ 242.15018 156.1
[M-H]- 218.15368 153.5
[M+NH4]+ 237.19478 167.1
[M+K]+ 258.12412 147.1
[M+H-H2O]+ 202.15822 142.5
[M+HCOO]- 264.15916 165.3
[M+CH3COO]- 278.17481 178.3
[M+Na-2H]- 240.13563 158.2
[M]+ 219.16041 141.8
[M]- 219.16151 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe