CID 410366

5-azoniaspiro[4.4]nonane bromide

Structural Information

Molecular Formula
C8H16N
SMILES
C1CC[N+]2(C1)CCCC2
InChI
InChI=1S/C8H16N/c1-2-6-9(5-1)7-3-4-8-9/h1-8H2/q+1
InChIKey
NZSICTQUKULOSA-UHFFFAOYSA-N
Compound name
5-azoniaspiro[4.4]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

742
Patents

126.12827 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.135546 129.3
[M+Na]+ 149.117488 134.6
[M-H]- 125.120994 133.0
[M+NH4]+ 144.162093 155.1
[M+K]+ 165.091428 128.2
[M+H-H2O]+ 109.125530 125.9
[M+HCOO]- 171.126471 149.5
[M+CH3COO]- 185.142121 161.4
[M+Na-2H]- 147.102936 135.7
[M]+ 126.12772142 121.3
[M]- 126.12881858 121.3
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