CID 3069986

1,2-ethanediamine, n'-(4-cyclopentylphenyl)-n,n-diethyl-, dihydrochloride

Structural Information

Molecular Formula
C17H28N2
SMILES
CCN(CC)CCNC1=CC=C(C=C1)C2CCCC2
InChI
InChI=1S/C17H28N2/c1-3-19(4-2)14-13-18-17-11-9-16(10-12-17)15-7-5-6-8-15/h9-12,15,18H,3-8,13-14H2,1-2H3
InChIKey
CWHKKBQPROZYFG-UHFFFAOYSA-N
Compound name
N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.22525 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.23253 165.8
[M+Na]+ 283.21447 168.2
[M-H]- 259.21797 172.4
[M+NH4]+ 278.25907 184.1
[M+K]+ 299.18841 165.4
[M+H-H2O]+ 243.22251 157.5
[M+HCOO]- 305.22345 189.6
[M+CH3COO]- 319.23910 206.0
[M+Na-2H]- 281.19992 167.0
[M]+ 260.22470 164.0
[M]- 260.22580 164.0
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