CID 64238

1,2-ethanediamine, n,n-diethyl-n'-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-, dihydrochloride

Structural Information

Molecular Formula
C16H30N2
SMILES
CCN(CC)CCNC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C16H30N2/c1-3-18(4-2)6-5-17-16-10-13-7-14(11-16)9-15(8-13)12-16/h13-15,17H,3-12H2,1-2H3
InChIKey
GUIQJGHIKUDSIK-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-N',N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.2409 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.24818 162.5
[M+Na]+ 273.23012 161.6
[M-H]- 249.23362 157.9
[M+NH4]+ 268.27472 186.4
[M+K]+ 289.20406 159.0
[M+H-H2O]+ 233.23816 155.4
[M+HCOO]- 295.23910 170.8
[M+CH3COO]- 309.25475 169.7
[M+Na-2H]- 271.21557 171.8
[M]+ 250.24035 162.7
[M]- 250.24145 162.7
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.