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: 714
Patents: 126.12827 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	127.13555	129.3
[M+Na]+	149.11749	134.6
[M-H]-	125.12099	133.0
[M+NH4]+	144.16209	155.1
[M+K]+	165.09143	128.2
[M+H-H2O]+	109.12553	125.9
[M+HCOO]-	171.12647	149.5
[M+CH3COO]-	185.14212	161.4
[M+Na-2H]-	147.10294	135.7
[M]+	126.12772	121.3
[M]-	126.12882	121.3

Literature stripe

literature stripe

Patent stripe

patents stripe