CID 3039006

42054-99-9

Structural Information

Molecular Formula
C17H28ClNO
SMILES
CCN(CCCCCCl)CCOC1=C(C=CC=C1C)C
InChI
InChI=1S/C17H28ClNO/c1-4-19(12-7-5-6-11-18)13-14-20-17-15(2)9-8-10-16(17)3/h8-10H,4-7,11-14H2,1-3H3
InChIKey
ZUSXQKFHPFZBBM-UHFFFAOYSA-N
Compound name
5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-N-ethylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.18594 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.19322 174.4
[M+Na]+ 320.17516 180.3
[M-H]- 296.17866 178.3
[M+NH4]+ 315.21976 191.5
[M+K]+ 336.14910 176.2
[M+H-H2O]+ 280.18320 167.6
[M+HCOO]- 342.18414 193.4
[M+CH3COO]- 356.19979 211.7
[M+Na-2H]- 318.16061 175.8
[M]+ 297.18539 181.9
[M]- 297.18649 181.9
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.