CID 6848

N,n-dimethyl-1-naphthylamine

Structural Information

Molecular Formula
C12H13N
SMILES
CN(C)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C12H13N/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3
InChIKey
AJUXDFHPVZQOGF-UHFFFAOYSA-N
Compound name
N,N-dimethylnaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

4943
Patents

171.1048 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.112076 135.0
[M+Na]+ 194.094018 142.8
[M-H]- 170.097524 141.1
[M+NH4]+ 189.138623 157.0
[M+K]+ 210.067958 140.7
[M+H-H2O]+ 154.102060 128.6
[M+HCOO]- 216.103001 160.0
[M+CH3COO]- 230.118651 187.3
[M+Na-2H]- 192.079466 143.9
[M]+ 171.10425142 135.6
[M]- 171.10534858 135.6
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