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 151.2
[M+Na]+ 218.15153 156.6
[M-H]- 194.15503 145.8
[M+NH4]+ 213.19613 181.9
[M+K]+ 234.12547 152.2
[M+H-H2O]+ 178.15957 144.9
[M+HCOO]- 240.16051 157.3
[M+CH3COO]- 254.17616 160.2
[M+Na-2H]- 216.13698 163.8
[M]+ 195.16176 150.2
[M]- 195.16286 150.2
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