CID 215834

2-(((3-methyl-2-norbornyl)methyl)amino)ethanol p-anisate (ester) hydrochloride

Structural Information

Molecular Formula
C19H27NO3
SMILES
CC1C2CCC(C2)C1CNCCOC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H27NO3/c1-13-15-3-4-16(11-15)18(13)12-20-9-10-23-19(21)14-5-7-17(22-2)8-6-14/h5-8,13,15-16,18,20H,3-4,9-12H2,1-2H3
InChIKey
JHSVNUJYMOXHHG-UHFFFAOYSA-N
Compound name
2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methylamino]ethyl 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1991 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.206376 178.3
[M+Na]+ 340.188318 182.6
[M-H]- 316.191824 183.7
[M+NH4]+ 335.232923 197.6
[M+K]+ 356.162258 179.4
[M+H-H2O]+ 300.196360 172.0
[M+HCOO]- 362.197301 198.5
[M+CH3COO]- 376.212951 210.6
[M+Na-2H]- 338.173766 177.1
[M]+ 317.19855142 180.4
[M]- 317.19964858 180.4
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.