CID 3382167

3-amino-5,7-dimethyladamantan-1-ol

Structural Information

Molecular Formula
C12H21NO
SMILES
CC12CC3(CC(C1)(CC(C2)(C3)O)N)C
InChI
InChI=1S/C12H21NO/c1-9-3-10(2)5-11(13,4-9)8-12(14,6-9)7-10/h14H,3-8,13H2,1-2H3
InChIKey
HSRBAOBUCHCHTQ-UHFFFAOYSA-N
Compound name
3-amino-5,7-dimethyladamantan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

195.16231 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.16959 149.9
[M+Na]+ 218.15153 157.7
[M+NH4]+ 213.19613 166.5
[M+K]+ 234.12547 143.7
[M-H]- 194.15503 148.2
[M+Na-2H]- 216.13698 150.8
[M]+ 195.16176 151.1
[M]- 195.16286 151.1
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