CID 16076824

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

Structural Information

Molecular Formula
C30H58N2
SMILES
CCCCCCCCCCCCCCCCCCNCCNC1C2CC3CC(C2)CC1C3
InChI
InChI=1S/C30H58N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-19-20-32-30-28-22-26-21-27(24-28)25-29(30)23-26/h26-32H,2-25H2,1H3
InChIKey
COSCKSBGBMOMRW-UHFFFAOYSA-N
Compound name
N'-(2-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

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.46728 221.3
[M+Na]+ 469.44922 213.6
[M-H]- 445.45272 212.0
[M+NH4]+ 464.49382 234.6
[M+K]+ 485.42316 207.0
[M+H-H2O]+ 429.45726 212.1
[M+HCOO]- 491.45820 224.1
[M+CH3COO]- 505.47385 250.0
[M+Na-2H]- 467.43467 222.5
[M]+ 446.45945 224.5
[M]- 446.46055 224.5
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.