CID 42150226

[(1s)-1-(4-bromophenyl)ethyl](ethyl)amine hydrochloride

Structural Information

Molecular Formula
C10H14BrN
SMILES
CCN[C@@H](C)C1=CC=C(C=C1)Br
InChI
InChI=1S/C10H14BrN/c1-3-12-8(2)9-4-6-10(11)7-5-9/h4-8,12H,3H2,1-2H3/t8-/m0/s1
InChIKey
SVIHGJKRUIYHRV-QMMMGPOBSA-N
Compound name
(1S)-1-(4-bromophenyl)-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

227.03096 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.03824 144.2
[M+Na]+ 250.02018 154.1
[M-H]- 226.02368 150.2
[M+NH4]+ 245.06478 165.7
[M+K]+ 265.99412 142.9
[M+H-H2O]+ 210.02822 143.7
[M+HCOO]- 272.02916 165.7
[M+CH3COO]- 286.04481 191.1
[M+Na-2H]- 248.00563 151.0
[M]+ 227.03041 161.9
[M]- 227.03151 161.9
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