CID 206520

50341-78-1

Structural Information

Molecular Formula
C17H28N2
SMILES
CCN(CC)CCNCC1CCCC2=CC=CC=C12
InChI
InChI=1S/C17H28N2/c1-3-19(4-2)13-12-18-14-16-10-7-9-15-8-5-6-11-17(15)16/h5-6,8,11,16,18H,3-4,7,9-10,12-14H2,1-2H3
InChIKey
GJANTPSJGSXSDO-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.22525 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.23253 164.6
[M+Na]+ 283.21447 167.1
[M-H]- 259.21797 168.6
[M+NH4]+ 278.25907 182.3
[M+K]+ 299.18841 164.2
[M+H-H2O]+ 243.22251 156.6
[M+HCOO]- 305.22345 185.9
[M+CH3COO]- 319.23910 207.9
[M+Na-2H]- 281.19992 168.9
[M]+ 260.22470 163.3
[M]- 260.22580 163.3
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