CID 3056585

2-(dimethylaminomethyl)-1-(m-methoxyphenyl)cyclohexanol formate

Structural Information

Molecular Formula
C17H25NO3
SMILES
CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)OC=O
InChI
InChI=1S/C17H25NO3/c1-18(2)12-15-7-4-5-10-17(15,21-13-19)14-8-6-9-16(11-14)20-3/h6,8-9,11,13,15H,4-5,7,10,12H2,1-3H3
InChIKey
LWUJVFJGULDRKI-UHFFFAOYSA-N
Compound name
[2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexyl] formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

291.18344 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.190716 169.0
[M+Na]+ 314.172658 173.4
[M-H]- 290.176164 176.1
[M+NH4]+ 309.217263 186.5
[M+K]+ 330.146598 172.2
[M+H-H2O]+ 274.180700 161.2
[M+HCOO]- 336.181641 190.4
[M+CH3COO]- 350.197291 207.5
[M+Na-2H]- 312.158106 171.9
[M]+ 291.18289142 170.1
[M]- 291.18398858 170.1
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