CID 4083804

1-bromo-4-(dimethylamino)naphthalene

Structural Information

Molecular Formula
C12H12BrN
SMILES
CN(C)C1=CC=C(C2=CC=CC=C21)Br
InChI
InChI=1S/C12H12BrN/c1-14(2)12-8-7-11(13)9-5-3-4-6-10(9)12/h3-8H,1-2H3
InChIKey
CWPDFSZHOZTGQW-UHFFFAOYSA-N
Compound name
4-bromo-N,N-dimethylnaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

249.0153 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.02258 147.3
[M+Na]+ 272.00452 158.8
[M-H]- 248.00802 155.9
[M+NH4]+ 267.04912 169.8
[M+K]+ 287.97846 148.1
[M+H-H2O]+ 232.01256 146.9
[M+HCOO]- 294.01350 169.6
[M+CH3COO]- 308.02915 197.8
[M+Na-2H]- 269.98997 155.9
[M]+ 249.01475 166.8
[M]- 249.01585 166.8
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