CID 3041748

1-naphthalenamine, 4-butoxy-

Structural Information

Molecular Formula
C14H17NO
SMILES
CCCCOC1=CC=C(C2=CC=CC=C21)N
InChI
InChI=1S/C14H17NO/c1-2-3-10-16-14-9-8-13(15)11-6-4-5-7-12(11)14/h4-9H,2-3,10,15H2,1H3
InChIKey
GVTCOUMYQKHTPF-UHFFFAOYSA-N
Compound name
4-butoxynaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

215.13101 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.13829 148.3
[M+Na]+ 238.12023 162.1
[M+NH4]+ 233.16483 157.9
[M+K]+ 254.09417 153.7
[M-H]- 214.12373 152.5
[M+Na-2H]- 236.10568 155.7
[M]+ 215.13046 151.5
[M]- 215.13156 151.5
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