CID 71065

Dtxsid00924732

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 193.6
[M+Na]+ 361.35532 191.4
[M-H]- 337.35882 193.5
[M+NH4]+ 356.39992 206.4
[M+K]+ 377.32926 186.9
[M+H-H2O]+ 321.36336 184.8
[M+HCOO]- 383.36430 211.3
[M+CH3COO]- 397.37995 222.6
[M+Na-2H]- 359.34077 191.8
[M]+ 338.36555 192.7
[M]- 338.36665 192.7
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.