CID 215836

36398-93-3

Structural Information

Molecular Formula
C18H24ClNO2
SMILES
CC1C2CCC(C2)C1CNCCOC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H24ClNO2/c1-12-14-2-3-15(10-14)17(12)11-20-8-9-22-18(21)13-4-6-16(19)7-5-13/h4-7,12,14-15,17,20H,2-3,8-11H2,1H3
InChIKey
FQGCTHVJNZNZLP-UHFFFAOYSA-N
Compound name
2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methylamino]ethyl 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.14957 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15685 175.3
[M+Na]+ 344.13879 184.8
[M+NH4]+ 339.18339 184.0
[M+K]+ 360.11273 180.7
[M-H]- 320.14229 178.0
[M+Na-2H]- 342.12424 177.7
[M]+ 321.14902 177.4
[M]- 321.15012 177.4
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.