CID 116110

Benzylamine, n-(4-(benzyloxymethyl)cyclohexyl)methyl-, dihydrochloride

Structural Information

Molecular Formula
C22H29NO
SMILES
C1CC(CCC1CNCC2=CC=CC=C2)COCC3=CC=CC=C3
InChI
InChI=1S/C22H29NO/c1-3-7-19(8-4-1)15-23-16-20-11-13-22(14-12-20)18-24-17-21-9-5-2-6-10-21/h1-10,20,22-23H,11-18H2
InChIKey
ZAHMOHQJTIOLGL-UHFFFAOYSA-N
Compound name
N-benzyl-1-[4-(phenylmethoxymethyl)cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.2249 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.232176 179.7
[M+Na]+ 346.214118 180.9
[M-H]- 322.217624 187.0
[M+NH4]+ 341.258723 192.4
[M+K]+ 362.188058 175.5
[M+H-H2O]+ 306.222160 169.5
[M+HCOO]- 368.223101 199.5
[M+CH3COO]- 382.238751 210.9
[M+Na-2H]- 344.199566 182.5
[M]+ 323.22435142 175.5
[M]- 323.22544858 175.5
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.