CID 14519851

118868-67-0

Structural Information

Molecular Formula
C12H13NO
SMILES
C1=CC=C2C(=C1)C=CC=C2OCCN
InChI
InChI=1S/C12H13NO/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9,13H2
InChIKey
BRBZLKKWMHCRNZ-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yloxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

70
Patents

187.09972 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.106996 138.7
[M+Na]+ 210.088938 146.4
[M-H]- 186.092444 142.8
[M+NH4]+ 205.133543 159.1
[M+K]+ 226.062878 143.0
[M+H-H2O]+ 170.096980 132.4
[M+HCOO]- 232.097921 162.9
[M+CH3COO]- 246.113571 185.1
[M+Na-2H]- 208.074386 147.3
[M]+ 187.09917142 138.6
[M]- 187.10026858 138.6
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