CID 16076550

N'-(1-adamantyl)-n-octadecyl-ethane-1,2-diamine

Structural Information

Molecular Formula
C30H58N2
SMILES
CCCCCCCCCCCCCCCCCCNCCNC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C30H58N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-19-20-32-30-24-27-21-28(25-30)23-29(22-27)26-30/h27-29,31-32H,2-26H2,1H3
InChIKey
OESCBBRLZMNKTR-UHFFFAOYSA-N
Compound name
N'-(1-adamantyl)-N-octadecylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.46 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.46728 220.6
[M+Na]+ 469.44922 213.3
[M-H]- 445.45272 211.3
[M+NH4]+ 464.49382 235.6
[M+K]+ 485.42316 206.5
[M+H-H2O]+ 429.45726 211.0
[M+HCOO]- 491.45820 223.3
[M+CH3COO]- 505.47385 248.3
[M+Na-2H]- 467.43467 223.4
[M]+ 446.45945 223.7
[M]- 446.46055 223.7
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.