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 183.0
[M+Na]+ 353.29272 179.3
[M-H]- 329.29622 188.6
[M+NH4]+ 348.33732 194.8
[M+K]+ 369.26666 174.2
[M+H-H2O]+ 313.30076 172.8
[M+HCOO]- 375.30170 197.9
[M+CH3COO]- 389.31735 215.3
[M+Na-2H]- 351.27817 182.4
[M]+ 330.30295 171.1
[M]- 330.30405 171.1
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.