CID 16076474

N2-(1-adamantylmethyl)-n1-cyclooctyl-propane-1,2-diamine

Structural Information

Molecular Formula
C22H40N2
SMILES
CC(CNC1CCCCCCC1)NCC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C22H40N2/c1-17(15-23-21-7-5-3-2-4-6-8-21)24-16-22-12-18-9-19(13-22)11-20(10-18)14-22/h17-21,23-24H,2-16H2,1H3
InChIKey
MXCJNWKOILHSAP-UHFFFAOYSA-N
Compound name
2-N-(1-adamantylmethyl)-1-N-cyclooctylpropane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.31915 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.32643 193.6
[M+Na]+ 355.30837 192.5
[M-H]- 331.31187 191.4
[M+NH4]+ 350.35297 201.7
[M+K]+ 371.28231 190.9
[M+H-H2O]+ 315.31641 187.7
[M+HCOO]- 377.31735 193.5
[M+CH3COO]- 391.33300 193.0
[M+Na-2H]- 353.29382 190.9
[M]+ 332.31860 189.4
[M]- 332.31970 189.4
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.