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 148.2
[M+Na]+ 238.12023 156.0
[M-H]- 214.12373 152.3
[M+NH4]+ 233.16483 167.8
[M+K]+ 254.09417 152.2
[M+H-H2O]+ 198.12827 141.6
[M+HCOO]- 260.12921 171.7
[M+CH3COO]- 274.14486 192.3
[M+Na-2H]- 236.10568 154.9
[M]+ 215.13046 149.2
[M]- 215.13156 149.2
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