CID 71049

N,n'-diisopentyl-1,4-cyclohexanebis(methylamine) dihydrochloride

Structural Information

Molecular Formula
C18H38N2
SMILES
CC(C)CCNCC1CCC(CC1)CNCCC(C)C
InChI
InChI=1S/C18H38N2/c1-15(2)9-11-19-13-17-5-7-18(8-6-17)14-20-12-10-16(3)4/h15-20H,5-14H2,1-4H3
InChIKey
NIUKZBOOOFLGPY-UHFFFAOYSA-N
Compound name
3-methyl-N-[[4-[(3-methylbutylamino)methyl]cyclohexyl]methyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.3035 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.31078 178.6
[M+Na]+ 305.29272 177.7
[M-H]- 281.29622 179.5
[M+NH4]+ 300.33732 193.6
[M+K]+ 321.26666 175.2
[M+H-H2O]+ 265.30076 170.9
[M+HCOO]- 327.30170 195.6
[M+CH3COO]- 341.31735 212.3
[M+Na-2H]- 303.27817 176.2
[M]+ 282.30295 174.9
[M]- 282.30405 174.9
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.