CID 76870

1,4-cyclohexanebis(methylamine), n-(o-chlorobenzyl)-, dihydrochloride, (e)-

Structural Information

Molecular Formula
C15H23ClN2
SMILES
C1CC(CCC1CN)CNCC2=CC=CC=C2Cl
InChI
InChI=1S/C15H23ClN2/c16-15-4-2-1-3-14(15)11-18-10-13-7-5-12(9-17)6-8-13/h1-4,12-13,18H,5-11,17H2
InChIKey
VNRGYJDUXIKXGE-UHFFFAOYSA-N
Compound name
[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.15497 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.16225 164.0
[M+Na]+ 289.14419 168.1
[M-H]- 265.14769 168.7
[M+NH4]+ 284.18879 180.4
[M+K]+ 305.11813 162.2
[M+H-H2O]+ 249.15223 157.0
[M+HCOO]- 311.15317 180.6
[M+CH3COO]- 325.16882 201.2
[M+Na-2H]- 287.12964 166.2
[M]+ 266.15442 159.7
[M]- 266.15552 159.7
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.