CID 78616

4900-81-6

Structural Information

Molecular Formula
C22H42N2
SMILES
C1CCC(CC1)CCNC2CCC(CC2)NCCC3CCCCC3
InChI
InChI=1S/C22H42N2/c1-3-7-19(8-4-1)15-17-23-21-11-13-22(14-12-21)24-18-16-20-9-5-2-6-10-20/h19-24H,1-18H2
InChIKey
UCPIETBDEMLIRF-UHFFFAOYSA-N
Compound name
1-N,4-N-bis(2-cyclohexylethyl)cyclohexane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

334.3348 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.34208 185.8
[M+Na]+ 357.32402 180.0
[M-H]- 333.32752 190.6
[M+NH4]+ 352.36862 197.2
[M+K]+ 373.29796 175.4
[M+H-H2O]+ 317.33206 175.6
[M+HCOO]- 379.33300 197.7
[M+CH3COO]- 393.34865 216.2
[M+Na-2H]- 355.30947 183.1
[M]+ 334.33425 171.0
[M]- 334.33535 171.0
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