CID 25857

13313-83-2

Structural Information

Molecular Formula
C21H35NO
SMILES
CCC1CCCCC1(C2=CC=CC=C2C(C)C)OCCN(C)C
InChI
InChI=1S/C21H35NO/c1-6-18-11-9-10-14-21(18,23-16-15-22(4)5)20-13-8-7-12-19(20)17(2)3/h7-8,12-13,17-18H,6,9-11,14-16H2,1-5H3
InChIKey
IMJMBWIOFQRAKI-UHFFFAOYSA-N
Compound name
2-[2-ethyl-1-(2-propan-2-ylphenyl)cyclohexyl]oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.27185 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.279126 182.1
[M+Na]+ 340.261068 184.4
[M-H]- 316.264574 188.5
[M+NH4]+ 335.305673 198.7
[M+K]+ 356.235008 182.2
[M+H-H2O]+ 300.269110 174.1
[M+HCOO]- 362.270051 200.5
[M+CH3COO]- 376.285701 217.0
[M+Na-2H]- 338.246516 181.5
[M]+ 317.27130142 181.7
[M]- 317.27239858 181.7
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.