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

55
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.