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]+ 318.27913 182.1
[M+Na]+ 340.26107 184.4
[M-H]- 316.26457 188.5
[M+NH4]+ 335.30567 198.7
[M+K]+ 356.23501 182.2
[M+H-H2O]+ 300.26911 174.1
[M+HCOO]- 362.27005 200.5
[M+CH3COO]- 376.28570 217.0
[M+Na-2H]- 338.24652 181.5
[M]+ 317.27130 181.7
[M]- 317.27240 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.