CID 216082

37092-92-5

Structural Information

Molecular Formula

C₁₈H₂₅NO₂

SMILES

CC(=O)OC1(C2CCC(C2)C1CN(C)C)C3=CC=CC=C3

InChI

InChI=1S/C18H25NO2/c1-13(20)21-18(15-7-5-4-6-8-15)16-10-9-14(11-16)17(18)12-19(2)3/h4-8,14,16-17H,9-12H2,1-3H3

InChIKey

LLGRLQWVNRISAK-UHFFFAOYSA-N

Compound name

[3-[(dimethylamino)methyl]-2-phenyl-2-bicyclo[2.2.1]heptanyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 287.18854 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	288.195816	171.6
[M+Na]+	310.177758	176.9
[M-H]-	286.181264	178.7
[M+NH4]+	305.222363	194.6
[M+K]+	326.151698	174.5
[M+H-H2O]+	270.185800	165.8
[M+HCOO]-	332.186741	192.5
[M+CH3COO]-	346.202391	207.3
[M+Na-2H]-	308.163206	171.7
[M]+	287.18799142	173.0
[M]-	287.18908858	173.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.