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]+ 304.26351 177.6
[M+Na]+ 326.24545 180.3
[M-H]- 302.24895 184.2
[M+NH4]+ 321.29005 194.8
[M+K]+ 342.21939 178.4
[M+H-H2O]+ 286.25349 169.7
[M+HCOO]- 348.25443 196.3
[M+CH3COO]- 362.27008 214.0
[M+Na-2H]- 324.23090 177.5
[M]+ 303.25568 176.8
[M]- 303.25678 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.