CID 207071

29122-51-8

Structural Information

Molecular Formula
C14H22ClNO
SMILES
CCC(C)C(CN)C1=C(C=CC(=C1)Cl)OCC
InChI
InChI=1S/C14H22ClNO/c1-4-10(3)13(9-16)12-8-11(15)6-7-14(12)17-5-2/h6-8,10,13H,4-5,9,16H2,1-3H3
InChIKey
OYNNTZYDLDUGIK-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-ethoxyphenyl)-3-methylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.13899 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14627 161.2
[M+Na]+ 278.12821 167.8
[M-H]- 254.13171 164.0
[M+NH4]+ 273.17281 179.0
[M+K]+ 294.10215 163.7
[M+H-H2O]+ 238.13625 155.7
[M+HCOO]- 300.13719 178.2
[M+CH3COO]- 314.15284 200.4
[M+Na-2H]- 276.11366 161.5
[M]+ 255.13844 164.2
[M]- 255.13954 164.2
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.