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 176.8
[M+Na]+ 316.22469 180.0
[M-H]- 292.22819 180.6
[M+NH4]+ 311.26929 192.7
[M+K]+ 332.19863 179.3
[M+H-H2O]+ 276.23273 168.9
[M+HCOO]- 338.23367 198.3
[M+CH3COO]- 352.24932 213.6
[M+Na-2H]- 314.21014 176.4
[M]+ 293.23492 182.5
[M]- 293.23602 182.5
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