CID 3056584

73806-47-0

Structural Information

Molecular Formula
C18H27NO3
SMILES
CC(=O)OC1(CCCCC1CN(C)C)C2=CC(=CC=C2)OC
InChI
InChI=1S/C18H27NO3/c1-14(20)22-18(15-9-7-10-17(12-15)21-4)11-6-5-8-16(18)13-19(2)3/h7,9-10,12,16H,5-6,8,11,13H2,1-4H3
InChIKey
LQUPISJKOHCHAY-UHFFFAOYSA-N
Compound name
[2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

305.1991 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.20638 173.8
[M+Na]+ 328.18832 177.5
[M-H]- 304.19182 180.8
[M+NH4]+ 323.23292 190.7
[M+K]+ 344.16226 176.7
[M+H-H2O]+ 288.19636 166.0
[M+HCOO]- 350.19730 193.8
[M+CH3COO]- 364.21295 210.7
[M+Na-2H]- 326.17377 175.0
[M]+ 305.19855 174.5
[M]- 305.19965 174.5
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

patents stripe