CID 64596

N-(adamantylmethyl)-2-phenylisopropylamine hydrochloride

Structural Information

Molecular Formula
C20H29N
SMILES
CC(CC1=CC=CC=C1)NCC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C20H29N/c1-15(7-16-5-3-2-4-6-16)21-14-20-11-17-8-18(12-20)10-19(9-17)13-20/h2-6,15,17-19,21H,7-14H2,1H3
InChIKey
ISOADSNHMUZLGZ-UHFFFAOYSA-N
Compound name
N-(1-adamantylmethyl)-1-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.23 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.23728 168.2
[M+Na]+ 306.21922 167.3
[M-H]- 282.22272 165.4
[M+NH4]+ 301.26382 190.0
[M+K]+ 322.19316 162.2
[M+H-H2O]+ 266.22726 159.3
[M+HCOO]- 328.22820 174.3
[M+CH3COO]- 342.24385 174.6
[M+Na-2H]- 304.20467 176.7
[M]+ 283.22945 166.1
[M]- 283.23055 166.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.