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 180.6
[M+Na]+ 344.13879 186.5
[M-H]- 320.14229 186.1
[M+NH4]+ 339.18339 200.7
[M+K]+ 360.11273 180.9
[M+H-H2O]+ 304.14683 175.1
[M+HCOO]- 366.14777 196.4
[M+CH3COO]- 380.16342 209.2
[M+Na-2H]- 342.12424 179.0
[M]+ 321.14902 183.1
[M]- 321.15012 183.1
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.