CID 214149

27778-90-1

Structural Information

Molecular Formula
C18H30ClNO
SMILES
CCCCOC1=C(C=C(C=C1)Cl)C(CN(C)C)C(C)CC
InChI
InChI=1S/C18H30ClNO/c1-6-8-11-21-18-10-9-15(19)12-16(18)17(13-20(4)5)14(3)7-2/h9-10,12,14,17H,6-8,11,13H2,1-5H3
InChIKey
VAZAQTZQAWCCSS-UHFFFAOYSA-N
Compound name
2-(2-butoxy-5-chlorophenyl)-N,N,3-trimethylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.2016 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.20888 178.9
[M+Na]+ 334.19082 183.9
[M-H]- 310.19432 182.9
[M+NH4]+ 329.23542 195.3
[M+K]+ 350.16476 180.5
[M+H-H2O]+ 294.19886 172.3
[M+HCOO]- 356.19980 195.7
[M+CH3COO]- 370.21545 216.4
[M+Na-2H]- 332.17627 177.4
[M]+ 311.20105 185.7
[M]- 311.20215 185.7
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.