CID 204698

Wv 778

Structural Information

Molecular Formula
C16H26ClNO
SMILES
CCN(CCOC1=C(C=CC(=C1)C)C(C)C)CCCl
InChI
InChI=1S/C16H26ClNO/c1-5-18(9-8-17)10-11-19-16-12-14(4)6-7-15(16)13(2)3/h6-7,12-13H,5,8-11H2,1-4H3
InChIKey
DTLWYOAKYUDBGB-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1703 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.177576 169.7
[M+Na]+ 306.159518 175.8
[M-H]- 282.163024 174.0
[M+NH4]+ 301.204123 187.3
[M+K]+ 322.133458 172.5
[M+H-H2O]+ 266.167560 163.4
[M+HCOO]- 328.168501 188.1
[M+CH3COO]- 342.184151 209.6
[M+Na-2H]- 304.144966 170.5
[M]+ 283.16975142 176.3
[M]- 283.17084858 176.3
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.