CID 40447

52583-04-7

Structural Information

Molecular Formula
C21H31N
SMILES
CN(C)CCCC12CC3CC(C1)CC(C3)C2C4=CC=CC=C4
InChI
InChI=1S/C21H31N/c1-22(2)10-6-9-21-14-16-11-17(15-21)13-19(12-16)20(21)18-7-4-3-5-8-18/h3-5,7-8,16-17,19-20H,6,9-15H2,1-2H3
InChIKey
ZCRWQUAFXZBEHQ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(2-phenyl-1-adamantyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.24564 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.25292 174.0
[M+Na]+ 320.23486 173.7
[M-H]- 296.23836 172.6
[M+NH4]+ 315.27946 196.0
[M+K]+ 336.20880 169.2
[M+H-H2O]+ 280.24290 164.5
[M+HCOO]- 342.24384 181.0
[M+CH3COO]- 356.25949 180.8
[M+Na-2H]- 318.22031 181.4
[M]+ 297.24509 173.9
[M]- 297.24619 173.9
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.