CID 63416324

1-(adamantan-1-yl)-3-phenylpropan-1-amine hydrochloride

Structural Information

Molecular Formula
C19H27N
SMILES
C1C2CC3CC1CC(C2)(C3)C(CCC4=CC=CC=C4)N
InChI
InChI=1S/C19H27N/c20-18(7-6-14-4-2-1-3-5-14)19-11-15-8-16(12-19)10-17(9-15)13-19/h1-5,15-18H,6-13,20H2
InChIKey
OZUFAOWKKCRDPO-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-3-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.21436 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.22164 165.0
[M+Na]+ 292.20358 164.6
[M-H]- 268.20708 162.0
[M+NH4]+ 287.24818 187.1
[M+K]+ 308.17752 159.5
[M+H-H2O]+ 252.21162 156.5
[M+HCOO]- 314.21256 170.9
[M+CH3COO]- 328.22821 171.7
[M+Na-2H]- 290.18903 173.1
[M]+ 269.21381 161.7
[M]- 269.21491 161.7
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.