CID 16076659

N'-(1-adamantylmethyl)-n-(tetrahydrofuran-2-ylmethyl)ethane-1,2-diamine

Structural Information

Molecular Formula
C18H32N2O
SMILES
C1CC(OC1)CNCCNCC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C18H32N2O/c1-2-17(21-5-1)12-19-3-4-20-13-18-9-14-6-15(10-18)8-16(7-14)11-18/h14-17,19-20H,1-13H2
InChIKey
UVYWRDHXTVCMJC-UHFFFAOYSA-N
Compound name
N'-(1-adamantylmethyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.25146 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.25874 161.9
[M+Na]+ 315.24068 159.7
[M-H]- 291.24418 159.1
[M+NH4]+ 310.28528 183.6
[M+K]+ 331.21462 156.5
[M+H-H2O]+ 275.24872 154.4
[M+HCOO]- 337.24966 168.1
[M+CH3COO]- 351.26531 168.4
[M+Na-2H]- 313.22613 169.9
[M]+ 292.25091 159.5
[M]- 292.25201 159.5
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.