CID 40425

Adamantane, 1-(3-tert-butylaminopropyl)-, hydrochloride

Structural Information

Molecular Formula
C17H31N
SMILES
CC(C)(C)NCCCC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C17H31N/c1-16(2,3)18-6-4-5-17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15,18H,4-12H2,1-3H3
InChIKey
YRDZJZIVMBDFKQ-UHFFFAOYSA-N
Compound name
N-[3-(1-adamantyl)propyl]-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.24565 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.25293 163.6
[M+Na]+ 272.23487 171.4
[M+NH4]+ 267.27947 176.4
[M+K]+ 288.20881 161.2
[M-H]- 248.23837 162.3
[M+Na-2H]- 270.22032 160.8
[M]+ 249.24510 164.5
[M]- 249.24620 164.5
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.