CID 64369

2-(2-adamantylamino)ethanol hydrochloride

Structural Information

Molecular Formula
C12H21NO
SMILES
C1C2CC3CC1CC(C2)C3NCCO
InChI
InChI=1S/C12H21NO/c14-2-1-13-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-14H,1-7H2
InChIKey
QWEHXCRULFHITF-UHFFFAOYSA-N
Compound name
2-(2-adamantylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

195.16231 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.169586 143.8
[M+Na]+ 218.151528 144.7
[M-H]- 194.155034 137.7
[M+NH4]+ 213.196133 167.4
[M+K]+ 234.125468 141.7
[M+H-H2O]+ 178.159570 138.7
[M+HCOO]- 240.160511 151.0
[M+CH3COO]- 254.176161 152.1
[M+Na-2H]- 216.136976 154.1
[M]+ 195.16176142 142.4
[M]- 195.16285858 142.4
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

patents stripe