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]+ 196.16959 143.8
[M+Na]+ 218.15153 147.5
[M-H]- 194.15503 142.7
[M+NH4]+ 213.19613 167.4
[M+K]+ 234.12547 144.0
[M+H-H2O]+ 178.15957 139.1
[M+HCOO]- 240.16051 158.2
[M+CH3COO]- 254.17616 154.4
[M+Na-2H]- 216.13698 149.0
[M]+ 195.16176 139.7
[M]- 195.16286 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.