CID 35990

31897-91-3

Structural Information

Molecular Formula
C21H31N
SMILES
CC(CC12CC3CC(C1)CC(C3)C2)N(C)CC4=CC=CC=C4
InChI
InChI=1S/C21H31N/c1-16(22(2)15-17-6-4-3-5-7-17)11-21-12-18-8-19(13-21)10-20(9-18)14-21/h3-7,16,18-20H,8-15H2,1-2H3
InChIKey
FVVFBSLXPJCACV-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-N-benzyl-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.24564 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.252916 174.1
[M+Na]+ 320.234858 172.5
[M-H]- 296.238364 172.3
[M+NH4]+ 315.279463 195.7
[M+K]+ 336.208798 168.6
[M+H-H2O]+ 280.242900 164.7
[M+HCOO]- 342.243841 180.1
[M+CH3COO]- 356.259491 180.4
[M+Na-2H]- 318.220306 181.0
[M]+ 297.24509142 173.1
[M]- 297.24618858 173.1
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.