CID 38553

Benzylamine, o-bromo-n-tert-butyl-n-(3-chloropropyl)-, hydrochloride

Structural Information

Molecular Formula
C14H21BrClN
SMILES
CC(C)(C)N(CCCCl)CC1=CC=CC=C1Br
InChI
InChI=1S/C14H21BrClN/c1-14(2,3)17(10-6-9-16)11-12-7-4-5-8-13(12)15/h4-5,7-8H,6,9-11H2,1-3H3
InChIKey
LYXTVYKNPTXJFN-UHFFFAOYSA-N
Compound name
N-[(2-bromophenyl)methyl]-N-(3-chloropropyl)-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0546 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.06188 168.5
[M+Na]+ 340.04382 178.8
[M-H]- 316.04732 175.4
[M+NH4]+ 335.08842 188.4
[M+K]+ 356.01776 165.8
[M+H-H2O]+ 300.05186 168.2
[M+HCOO]- 362.05280 184.3
[M+CH3COO]- 376.06845 208.1
[M+Na-2H]- 338.02927 173.7
[M]+ 317.05405 190.7
[M]- 317.05515 190.7
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

No patent data available for this compound.