CID 39128

42055-01-6

Structural Information

Molecular Formula
C18H30ClNO
SMILES
CCN(CCCCCCCl)CCOC1=C(C=CC=C1C)C
InChI
InChI=1S/C18H30ClNO/c1-4-20(13-8-6-5-7-12-19)14-15-21-18-16(2)10-9-11-17(18)3/h9-11H,4-8,12-15H2,1-3H3
InChIKey
HNYVRGLGOHDAHX-UHFFFAOYSA-N
Compound name
6-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-N-ethylhexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.2016 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.20888 179.0
[M+Na]+ 334.19082 184.5
[M-H]- 310.19432 182.8
[M+NH4]+ 329.23542 195.5
[M+K]+ 350.16476 180.1
[M+H-H2O]+ 294.19886 172.1
[M+HCOO]- 356.19980 197.7
[M+CH3COO]- 370.21545 214.7
[M+Na-2H]- 332.17627 179.9
[M]+ 311.20105 187.0
[M]- 311.20215 187.0
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.