CID 3042672

Rap 411

Structural Information

Molecular Formula
C18H31NO2
SMILES
CCCCOC1=CC=CC=C1OCCN(C(C)C)C(C)C
InChI
InChI=1S/C18H31NO2/c1-6-7-13-20-17-10-8-9-11-18(17)21-14-12-19(15(2)3)16(4)5/h8-11,15-16H,6-7,12-14H2,1-5H3
InChIKey
OECNHRSNFLARHZ-UHFFFAOYSA-N
Compound name
N-[2-(2-butoxyphenoxy)ethyl]-N-propan-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

293.23547 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.24275 174.8
[M+Na]+ 316.22469 184.6
[M+NH4]+ 311.26929 181.8
[M+K]+ 332.19863 178.1
[M-H]- 292.22819 177.0
[M+Na-2H]- 314.21014 179.2
[M]+ 293.23492 176.7
[M]- 293.23602 176.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe