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]+ 292.19072 169.0
[M+Na]+ 314.17266 173.4
[M-H]- 290.17616 176.1
[M+NH4]+ 309.21726 186.5
[M+K]+ 330.14660 172.2
[M+H-H2O]+ 274.18070 161.2
[M+HCOO]- 336.18164 190.4
[M+CH3COO]- 350.19729 207.5
[M+Na-2H]- 312.15811 171.9
[M]+ 291.18289 170.1
[M]- 291.18399 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