CID 204692

Wv 0013

Structural Information

Molecular Formula
C14H22ClNO
SMILES
CC1=CC(=C(C=C1)C(C)C)OCCNCCCl
InChI
InChI=1S/C14H22ClNO/c1-11(2)13-5-4-12(3)10-14(13)17-9-8-16-7-6-15/h4-5,10-11,16H,6-9H2,1-3H3
InChIKey
OURVJGQEEDPUIX-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine
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 160.6
[M+Na]+ 278.12821 167.4
[M-H]- 254.13171 163.8
[M+NH4]+ 273.17281 178.7
[M+K]+ 294.10215 163.2
[M+H-H2O]+ 238.13625 154.9
[M+HCOO]- 300.13719 179.2
[M+CH3COO]- 314.15284 200.1
[M+Na-2H]- 276.11366 163.2
[M]+ 255.13844 165.2
[M]- 255.13954 165.2
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.