CID 24847310

Substanz nr. 336

Structural Information

Molecular Formula
C19H31NO
SMILES
CCN(CC)CCOC(C1CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C19H31NO/c1-3-20(4-2)15-16-21-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5,7-8,11-12,18-19H,3-4,6,9-10,13-16H2,1-2H3
InChIKey
DUPYCATWTCGHMB-UHFFFAOYSA-N
Compound name
2-[cyclohexyl(phenyl)methoxy]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.24057 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.24785 174.7
[M+Na]+ 312.22979 174.9
[M-H]- 288.23329 180.3
[M+NH4]+ 307.27439 189.7
[M+K]+ 328.20373 172.7
[M+H-H2O]+ 272.23783 165.7
[M+HCOO]- 334.23877 193.7
[M+CH3COO]- 348.25442 209.2
[M+Na-2H]- 310.21524 175.3
[M]+ 289.24002 172.5
[M]- 289.24112 172.5
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.