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]+ 288.19582 171.1
[M+Na]+ 310.17776 175.2
[M-H]- 286.18126 176.4
[M+NH4]+ 305.22236 191.5
[M+K]+ 326.15170 171.5
[M+H-H2O]+ 270.18580 164.8
[M+HCOO]- 332.18674 191.6
[M+CH3COO]- 346.20239 204.4
[M+Na-2H]- 308.16321 170.9
[M]+ 287.18799 171.1
[M]- 287.18909 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.