CID 32540

(+-)-endo-n-(2,4-dichlorobenzyl)-2-bornanamine hydrochloride

Structural Information

Molecular Formula
C17H23Cl2N
SMILES
CC1(C2CCC1(C(C2)NCC3=C(C=C(C=C3)Cl)Cl)C)C
InChI
InChI=1S/C17H23Cl2N/c1-16(2)12-6-7-17(16,3)15(8-12)20-10-11-4-5-13(18)9-14(11)19/h4-5,9,12,15,20H,6-8,10H2,1-3H3
InChIKey
GQSYTEBEVKUVEH-UHFFFAOYSA-N
Compound name
N-[(2,4-dichlorophenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.12076 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12804 175.2
[M+Na]+ 334.10998 185.2
[M-H]- 310.11348 180.8
[M+NH4]+ 329.15458 200.5
[M+K]+ 350.08392 177.0
[M+H-H2O]+ 294.11802 171.4
[M+HCOO]- 356.11896 186.7
[M+CH3COO]- 370.13461 186.8
[M+Na-2H]- 332.09543 175.8
[M]+ 311.12021 177.6
[M]- 311.12131 177.6
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.