CID 2850520

(3-amino-5-methyl-1-adamantyl)methanol

Structural Information

Molecular Formula
C12H21NO
SMILES
CC12CC3CC(C1)(CC(C3)(C2)N)CO
InChI
InChI=1S/C12H21NO/c1-10-2-9-3-11(5-10,8-14)7-12(13,4-9)6-10/h9,14H,2-8,13H2,1H3
InChIKey
YANGLOGEEOBUMT-UHFFFAOYSA-N
Compound name
(3-amino-5-methyl-1-adamantyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

195.16231 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.16959 148.8
[M+Na]+ 218.15153 156.6
[M+NH4]+ 213.19613 164.1
[M+K]+ 234.12547 144.0
[M-H]- 194.15503 147.0
[M+Na-2H]- 216.13698 148.2
[M]+ 195.16176 149.7
[M]- 195.16286 149.7
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