CID 94942

2-thymoloxytriethylamine

Structural Information

Molecular Formula
C16H27NO
SMILES
CCN(CC)CCOC1=C(C=CC(=C1)C)C(C)C
InChI
InChI=1S/C16H27NO/c1-6-17(7-2)10-11-18-16-12-14(5)8-9-15(16)13(3)4/h8-9,12-13H,6-7,10-11H2,1-5H3
InChIKey
NWMFJTRBFZCTSP-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.20926 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.21654 163.2
[M+Na]+ 272.19848 168.5
[M-H]- 248.20198 167.7
[M+NH4]+ 267.24308 181.4
[M+K]+ 288.17242 167.3
[M+H-H2O]+ 232.20652 156.1
[M+HCOO]- 294.20746 186.2
[M+CH3COO]- 308.22311 206.0
[M+Na-2H]- 270.18393 164.5
[M]+ 249.20871 167.8
[M]- 249.20981 167.8
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

No patent data available for this compound.