CID 61288549

N-(3-bromopropyl)-n-methylaniline hydrobromide

Structural Information

Molecular Formula
C10H14BrN
SMILES
CN(CCCBr)C1=CC=CC=C1
InChI
InChI=1S/C10H14BrN/c1-12(9-5-8-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKey
YWVIBERYLABRBJ-UHFFFAOYSA-N
Compound name
N-(3-bromopropyl)-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

227.03096 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.038236 143.9
[M+Na]+ 250.020178 153.4
[M-H]- 226.023684 150.9
[M+NH4]+ 245.064783 165.8
[M+K]+ 265.994118 143.2
[M+H-H2O]+ 210.028220 143.1
[M+HCOO]- 272.029161 166.9
[M+CH3COO]- 286.044811 192.7
[M+Na-2H]- 248.005626 151.9
[M]+ 227.03041142 163.1
[M]- 227.03150858 163.1
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