CID 32570

(+-)-endo-n-(p-methylbenzyl)-2-bornanamine hydrochloride

Structural Information

Molecular Formula
C18H27N
SMILES
CC1=CC=C(C=C1)CNC2CC3CCC2(C3(C)C)C
InChI
InChI=1S/C18H27N/c1-13-5-7-14(8-6-13)12-19-16-11-15-9-10-18(16,4)17(15,2)3/h5-8,15-16,19H,9-12H2,1-4H3
InChIKey
AXJSTHSIGQGLLK-UHFFFAOYSA-N
Compound name
1,7,7-trimethyl-N-[(4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.21436 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.22164 162.9
[M+Na]+ 280.20358 170.5
[M-H]- 256.20708 169.2
[M+NH4]+ 275.24818 189.2
[M+K]+ 296.17752 165.5
[M+H-H2O]+ 240.21162 157.8
[M+HCOO]- 302.21256 183.9
[M+CH3COO]- 316.22821 175.3
[M+Na-2H]- 278.18903 165.3
[M]+ 257.21381 162.5
[M]- 257.21491 162.5
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.