CID 37437

Ethanol, 2-(((3-methyl-2-norbornyl)methyl)amino)-, benzoate (ester), hydrochloride

Structural Information

Molecular Formula
C18H25NO2
SMILES
CC1C2CCC(C2)C1CNCCOC(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H25NO2/c1-13-15-7-8-16(11-15)17(13)12-19-9-10-21-18(20)14-5-3-2-4-6-14/h2-6,13,15-17,19H,7-12H2,1H3
InChIKey
CVWMTNRBHAHKEJ-UHFFFAOYSA-N
Compound name
2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methylamino]ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.18854 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.195816 171.1
[M+Na]+ 310.177758 175.2
[M-H]- 286.181264 176.4
[M+NH4]+ 305.222363 191.5
[M+K]+ 326.151698 171.5
[M+H-H2O]+ 270.185800 164.8
[M+HCOO]- 332.186741 191.6
[M+CH3COO]- 346.202391 204.4
[M+Na-2H]- 308.163206 170.9
[M]+ 287.18799142 171.1
[M]- 287.18908858 171.1
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

No patent data available for this compound.