CID 3066150

J.l. 1276

Structural Information

Molecular Formula
C18H35NO
SMILES
CCN(CC)CCOC1(CCCCC1)C2CCCCC2
InChI
InChI=1S/C18H35NO/c1-3-19(4-2)15-16-20-18(13-9-6-10-14-18)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3
InChIKey
ZIRUYTCAIISYIG-UHFFFAOYSA-N
Compound name
2-(1-cyclohexylcyclohexyl)oxy-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.27185 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.279126 174.4
[M+Na]+ 304.261068 173.2
[M-H]- 280.264574 179.2
[M+NH4]+ 299.305673 191.6
[M+K]+ 320.235008 171.7
[M+H-H2O]+ 264.269110 166.2
[M+HCOO]- 326.270051 190.4
[M+CH3COO]- 340.285701 206.1
[M+Na-2H]- 302.246516 174.7
[M]+ 281.27130142 168.4
[M]- 281.27239858 168.4
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.