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]+ 322.156846 180.6
[M+Na]+ 344.138788 186.5
[M-H]- 320.142294 186.1
[M+NH4]+ 339.183393 200.7
[M+K]+ 360.112728 180.9
[M+H-H2O]+ 304.146830 175.1
[M+HCOO]- 366.147771 196.4
[M+CH3COO]- 380.163421 209.2
[M+Na-2H]- 342.124236 179.0
[M]+ 321.14902142 183.1
[M]- 321.15011858 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.