CID 2060977

2-(adamantan-1-yloxy)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H21NO
SMILES
C1C2CC3CC1CC(C2)(C3)OCCN
InChI
InChI=1S/C12H21NO/c13-1-2-14-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8,13H2
InChIKey
SSMRLTOOLLVHLW-UHFFFAOYSA-N
Compound name
2-(1-adamantyloxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

195.16231 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.169586 145.9
[M+Na]+ 218.151528 147.6
[M-H]- 194.155034 140.7
[M+NH4]+ 213.196133 171.6
[M+K]+ 234.125468 144.7
[M+H-H2O]+ 178.159570 139.9
[M+HCOO]- 240.160511 153.9
[M+CH3COO]- 254.176161 154.6
[M+Na-2H]- 216.136976 156.8
[M]+ 195.16176142 145.1
[M]- 195.16285858 145.1
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