CID 30445

Ethylenediamine, n'-(1-benzylcyclohexyl)-n,n-diethyl-, maleate (1:2)

Structural Information

Molecular Formula
C19H32N2
SMILES
CCN(CC)CCNC1(CCCCC1)CC2=CC=CC=C2
InChI
InChI=1S/C19H32N2/c1-3-21(4-2)16-15-20-19(13-9-6-10-14-19)17-18-11-7-5-8-12-18/h5,7-8,11-12,20H,3-4,6,9-10,13-17H2,1-2H3
InChIKey
IBYDSHWPPOMAPZ-UHFFFAOYSA-N
Compound name
N-(1-benzylcyclohexyl)-N',N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.25656 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.263836 173.7
[M+Na]+ 311.245778 174.4
[M-H]- 287.249284 179.4
[M+NH4]+ 306.290383 190.5
[M+K]+ 327.219718 171.5
[M+H-H2O]+ 271.253820 165.0
[M+HCOO]- 333.254761 194.6
[M+CH3COO]- 347.270411 210.8
[M+Na-2H]- 309.231226 177.0
[M]+ 288.25601142 170.2
[M]- 288.25710858 170.2
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.