CID 4092088

(3-bromopropyl)triethylammonium bromide

Structural Information

Molecular Formula
C9H21BrN
SMILES
CC[N+](CC)(CC)CCCBr
InChI
InChI=1S/C9H21BrN/c1-4-11(5-2,6-3)9-7-8-10/h4-9H2,1-3H3/q+1
InChIKey
LZJJLZXZYBOMOD-UHFFFAOYSA-N
Compound name
3-bromopropyl(triethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

165
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

No literature data available for this compound.

Patent stripe

patents stripe