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]+ 324.23218 179.7
[M+Na]+ 346.21412 180.9
[M-H]- 322.21762 187.0
[M+NH4]+ 341.25872 192.4
[M+K]+ 362.18806 175.5
[M+H-H2O]+ 306.22216 169.5
[M+HCOO]- 368.22310 199.5
[M+CH3COO]- 382.23875 210.9
[M+Na-2H]- 344.19957 182.5
[M]+ 323.22435 175.5
[M]- 323.22545 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.