CID 25855

13313-82-1

Structural Information

Molecular Formula
C20H33NO
SMILES
CC1CCCCC1(C2=CC=CC=C2C(C)C)OCCN(C)C
InChI
InChI=1S/C20H33NO/c1-16(2)18-11-6-7-12-19(18)20(22-15-14-21(4)5)13-9-8-10-17(20)3/h6-7,11-12,16-17H,8-10,13-15H2,1-5H3
InChIKey
AGSTUROSBNSUDQ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[2-methyl-1-(2-propan-2-ylphenyl)cyclohexyl]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.25623 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.263506 177.6
[M+Na]+ 326.245448 180.3
[M-H]- 302.248954 184.2
[M+NH4]+ 321.290053 194.8
[M+K]+ 342.219388 178.4
[M+H-H2O]+ 286.253490 169.7
[M+HCOO]- 348.254431 196.3
[M+CH3COO]- 362.270081 214.0
[M+Na-2H]- 324.230896 177.5
[M]+ 303.25568142 176.8
[M]- 303.25677858 176.8
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.