CID 35990

2-propylamine, 1-(1-adamantyl)-n-benzyl-n-methyl-, hydrochloride

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]+ 298.25292 174.4
[M+Na]+ 320.23486 184.4
[M+NH4]+ 315.27946 188.0
[M+K]+ 336.20880 172.9
[M-H]- 296.23836 176.4
[M+Na-2H]- 318.22031 174.2
[M]+ 297.24509 176.6
[M]- 297.24619 176.6
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.