CID 64404

N-(2-hydroxyethyl)-4-protoadamantaneamine hydrochloride

Structural Information

Molecular Formula
C12H21NO
SMILES
C1CC2CC3CC1C(C3)C2NCCO
InChI
InChI=1S/C12H21NO/c14-4-3-13-12-10-2-1-9-5-8(6-10)7-11(9)12/h8-14H,1-7H2
InChIKey
WNZHTVBYTVSXJG-UHFFFAOYSA-N
Compound name
2-(7-tricyclo[4.3.1.03,8]decanylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.16231 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.169586 143.8
[M+Na]+ 218.151528 147.5
[M-H]- 194.155034 142.7
[M+NH4]+ 213.196133 167.4
[M+K]+ 234.125468 144.0
[M+H-H2O]+ 178.159570 139.1
[M+HCOO]- 240.160511 158.2
[M+CH3COO]- 254.176161 154.4
[M+Na-2H]- 216.136976 149.0
[M]+ 195.16176142 139.7
[M]- 195.16285858 139.7
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.