CID 9857585

Ammonium, (6-bromohexyl)trimethyl-, bromide

Structural Information

Molecular Formula
C9H21BrN
SMILES
C[N+](C)(C)CCCCCCBr
InChI
InChI=1S/C9H21BrN/c1-11(2,3)9-7-5-4-6-8-10/h4-9H2,1-3H3/q+1
InChIKey
WJNHFKVKJHYMNG-UHFFFAOYSA-N
Compound name
6-bromohexyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

885
Patents

222.08574 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09302 146.7
[M+Na]+ 245.07496 156.4
[M-H]- 221.07846 151.0
[M+NH4]+ 240.11956 169.4
[M+K]+ 261.04890 141.3
[M+H-H2O]+ 205.08300 149.5
[M+HCOO]- 267.08394 167.5
[M+CH3COO]- 281.09959 188.1
[M+Na-2H]- 243.06041 156.4
[M]+ 222.08519 166.6
[M]- 222.08629 166.6
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