CID 13228

N-(2-bromoethyl)-n-ethylaniline

Structural Information

Molecular Formula
C10H14BrN
SMILES
CCN(CCBr)C1=CC=CC=C1
InChI
InChI=1S/C10H14BrN/c1-2-12(9-8-11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey
VNHIWLRYPBSACZ-UHFFFAOYSA-N
Compound name
N-(2-bromoethyl)-N-ethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

227.03096 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.03824 143.9
[M+Na]+ 250.02018 153.4
[M-H]- 226.02368 150.9
[M+NH4]+ 245.06478 165.8
[M+K]+ 265.99412 143.2
[M+H-H2O]+ 210.02822 143.1
[M+HCOO]- 272.02916 166.9
[M+CH3COO]- 286.04481 192.7
[M+Na-2H]- 248.00563 151.9
[M]+ 227.03041 163.1
[M]- 227.03151 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

No literature data available for this compound.

Patent stripe

patents stripe