CID 3075419

1-aminomethyl-3-(4-aminophenyl)adamantane dihydrochloride

Structural Information

Molecular Formula
C17H24N2
SMILES
C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)N)CN
InChI
InChI=1S/C17H24N2/c18-11-16-6-12-5-13(7-16)9-17(8-12,10-16)14-1-3-15(19)4-2-14/h1-4,12-13H,5-11,18-19H2
InChIKey
ZWVBCHYHTFPNHV-UHFFFAOYSA-N
Compound name
4-[3-(aminomethyl)-1-adamantyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.19394 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.20122 160.5
[M+Na]+ 279.18316 170.2
[M+NH4]+ 274.22776 175.2
[M+K]+ 295.15710 157.6
[M-H]- 255.18666 162.4
[M+Na-2H]- 277.16861 161.5
[M]+ 256.19339 162.7
[M]- 256.19449 162.7
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.