CID 40439

52582-99-7

Structural Information

Molecular Formula
C19H27N
SMILES
CNCCC12CC3CC(C1)CC(C3)C2C4=CC=CC=C4
InChI
InChI=1S/C19H27N/c1-20-8-7-19-12-14-9-15(13-19)11-17(10-14)18(19)16-5-3-2-4-6-16/h2-6,14-15,17-18,20H,7-13H2,1H3
InChIKey
WPYLJVHRHALOOA-UHFFFAOYSA-N
Compound name
N-methyl-2-(2-phenyl-1-adamantyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.21436 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.22164 165.1
[M+Na]+ 292.20358 176.2
[M+NH4]+ 287.24818 179.1
[M+K]+ 308.17752 164.1
[M-H]- 268.20708 167.2
[M+Na-2H]- 290.18903 165.5
[M]+ 269.21381 167.6
[M]- 269.21491 167.6
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.