CID 46839345

N-(1-phenylcyclohexyl)-2-ethoxyethanamine

Structural Information

Molecular Formula
C16H25NO
SMILES
CCOCCNC1(CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C16H25NO/c1-2-18-14-13-17-16(11-7-4-8-12-16)15-9-5-3-6-10-15/h3,5-6,9-10,17H,2,4,7-8,11-14H2,1H3
InChIKey
PRQVCBDFWYTXDD-UHFFFAOYSA-N
Compound name
N-(2-ethoxyethyl)-1-phenylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

0
Patents

247.19362 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.200896 160.5
[M+Na]+ 270.182838 163.1
[M-H]- 246.186344 165.5
[M+NH4]+ 265.227443 178.7
[M+K]+ 286.156778 160.1
[M+H-H2O]+ 230.190880 152.7
[M+HCOO]- 292.191821 181.1
[M+CH3COO]- 306.207471 195.5
[M+Na-2H]- 268.168286 165.8
[M]+ 247.19307142 156.9
[M]- 247.19416858 156.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.