CID 3042674

Rap 409

Structural Information

Molecular Formula
C16H27NO2
SMILES
CCN(CC)CCOC1=CC=CC=C1OCC(C)C
InChI
InChI=1S/C16H27NO2/c1-5-17(6-2)11-12-18-15-9-7-8-10-16(15)19-13-14(3)4/h7-10,14H,5-6,11-13H2,1-4H3
InChIKey
BEZSPGRAGVCHQN-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[2-(2-methylpropoxy)phenoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

265.2042 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.21148 167.2
[M+Na]+ 288.19342 171.5
[M-H]- 264.19692 171.3
[M+NH4]+ 283.23802 184.3
[M+K]+ 304.16736 170.8
[M+H-H2O]+ 248.20146 159.6
[M+HCOO]- 310.20240 190.4
[M+CH3COO]- 324.21805 206.7
[M+Na-2H]- 286.17887 169.1
[M]+ 265.20365 172.8
[M]- 265.20475 172.8
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