CID 71065

1241-27-6

Structural Information

Molecular Formula
C22H46N2
SMILES
CCCCCCCNCC1CCC(CC1)CNCCCCCCC
InChI
InChI=1S/C22H46N2/c1-3-5-7-9-11-17-23-19-21-13-15-22(16-14-21)20-24-18-12-10-8-6-4-2/h21-24H,3-20H2,1-2H3
InChIKey
XADPDGOWNMXZRV-UHFFFAOYSA-N
Compound name
N-[[4-[(heptylamino)methyl]cyclohexyl]methyl]heptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.3661 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.37338 194.4
[M+Na]+ 361.35532 200.7
[M+NH4]+ 356.39992 201.2
[M+K]+ 377.32926 191.1
[M-H]- 337.35882 197.2
[M+Na-2H]- 359.34077 196.1
[M]+ 338.36555 195.7
[M]- 338.36665 195.7
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.