CID 36000

Adamantane, 2-cyclohexyl-1-(2-methylaminopropyl)-, hydrochloride

Structural Information

Molecular Formula
C20H35N
SMILES
CC(CC12CC3CC(C1)CC(C3)C2C4CCCCC4)NC
InChI
InChI=1S/C20H35N/c1-14(21-2)11-20-12-15-8-16(13-20)10-18(9-15)19(20)17-6-4-3-5-7-17/h14-19,21H,3-13H2,1-2H3
InChIKey
RNYOSRZCHQLRMT-UHFFFAOYSA-N
Compound name
1-(2-cyclohexyl-1-adamantyl)-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.27695 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.28423 171.9
[M+Na]+ 312.26617 168.7
[M-H]- 288.26967 168.0
[M+NH4]+ 307.31077 193.3
[M+K]+ 328.24011 164.1
[M+H-H2O]+ 272.27421 163.3
[M+HCOO]- 334.27515 173.4
[M+CH3COO]- 348.29080 176.9
[M+Na-2H]- 310.25162 176.6
[M]+ 289.27640 165.6
[M]- 289.27750 165.6
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.