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]+ 256.146266 160.6
[M+Na]+ 278.128208 167.4
[M-H]- 254.131714 163.8
[M+NH4]+ 273.172813 178.7
[M+K]+ 294.102148 163.2
[M+H-H2O]+ 238.136250 154.9
[M+HCOO]- 300.137191 179.2
[M+CH3COO]- 314.152841 200.1
[M+Na-2H]- 276.113656 163.2
[M]+ 255.13844142 165.2
[M]- 255.13953858 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.