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]+ 282.27913 174.4
[M+Na]+ 304.26107 173.2
[M-H]- 280.26457 179.2
[M+NH4]+ 299.30567 191.6
[M+K]+ 320.23501 171.7
[M+H-H2O]+ 264.26911 166.2
[M+HCOO]- 326.27005 190.4
[M+CH3COO]- 340.28570 206.1
[M+Na-2H]- 302.24652 174.7
[M]+ 281.27130 168.4
[M]- 281.27240 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.