CID 164510

Cyclohexanamine, 4,4'-methylenebis(n-(2-methylpropylidene)-

Structural Information

Molecular Formula
C21H38N2
SMILES
CC(C)C=NC1CCC(CC1)CC2CCC(CC2)N=CC(C)C
InChI
InChI=1S/C21H38N2/c1-16(2)14-22-20-9-5-18(6-10-20)13-19-7-11-21(12-8-19)23-15-17(3)4/h14-21H,5-13H2,1-4H3
InChIKey
WZZGDSABBCIGPQ-UHFFFAOYSA-N
Compound name
2-methyl-N-[4-[[4-(2-methylpropylideneamino)cyclohexyl]methyl]cyclohexyl]propan-1-imine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

318.3035 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.31078 185.5
[M+Na]+ 341.29272 184.0
[M-H]- 317.29622 191.6
[M+NH4]+ 336.33732 200.0
[M+K]+ 357.26666 181.2
[M+H-H2O]+ 301.30076 176.4
[M+HCOO]- 363.30170 202.1
[M+CH3COO]- 377.31735 221.3
[M+Na-2H]- 339.27817 181.4
[M]+ 318.30295 178.5
[M]- 318.30405 178.5
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

patents stripe