CID 30445

N-(2-diethylaminoethyl)-1-benzylcyclohexylamine

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]+ 289.26384 173.7
[M+Na]+ 311.24578 174.4
[M-H]- 287.24928 179.4
[M+NH4]+ 306.29038 190.5
[M+K]+ 327.21972 171.5
[M+H-H2O]+ 271.25382 165.0
[M+HCOO]- 333.25476 194.6
[M+CH3COO]- 347.27041 210.8
[M+Na-2H]- 309.23123 177.0
[M]+ 288.25601 170.2
[M]- 288.25711 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.