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]+ 196.16959 143.8
[M+Na]+ 218.15153 144.7
[M-H]- 194.15503 137.7
[M+NH4]+ 213.19613 167.4
[M+K]+ 234.12547 141.7
[M+H-H2O]+ 178.15957 138.7
[M+HCOO]- 240.16051 151.0
[M+CH3COO]- 254.17616 152.1
[M+Na-2H]- 216.13698 154.1
[M]+ 195.16176 142.4
[M]- 195.16286 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.