CID 102620

N,n'-bis(3-cyclohexenylmethyl)-1,4-cyclohexanebis(methylamine) dihydrochloride

Structural Information

Molecular Formula
C22H38N2
SMILES
C1CC=CC(C1)CNCC2CCC(CC2)CNCC3CCCC=C3
InChI
InChI=1S/C22H38N2/c1-3-7-19(8-4-1)15-23-17-21-11-13-22(14-12-21)18-24-16-20-9-5-2-6-10-20/h3,5,7,9,19-24H,1-2,4,6,8,10-18H2
InChIKey
ATKQEUSOQABEJA-UHFFFAOYSA-N
Compound name
N-(cyclohex-2-en-1-ylmethyl)-1-[4-[(cyclohex-2-en-1-ylmethylamino)methyl]cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.3035 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.31078 189.3
[M+Na]+ 353.29272 197.9
[M+NH4]+ 348.33732 198.3
[M+K]+ 369.26666 188.1
[M-H]- 329.29622 197.0
[M+Na-2H]- 351.27817 195.7
[M]+ 330.30295 192.4
[M]- 330.30405 192.4
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.

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No patent data available for this compound.