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]+ 318.20638 178.3
[M+Na]+ 340.18832 182.6
[M-H]- 316.19182 183.7
[M+NH4]+ 335.23292 197.6
[M+K]+ 356.16226 179.4
[M+H-H2O]+ 300.19636 172.0
[M+HCOO]- 362.19730 198.5
[M+CH3COO]- 376.21295 210.6
[M+Na-2H]- 338.17377 177.1
[M]+ 317.19855 180.4
[M]- 317.19965 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.