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

9
Patents

195.16231 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.169586 150.2
[M+Na]+ 218.151528 154.3
[M-H]- 194.155034 144.4
[M+NH4]+ 213.196133 179.2
[M+K]+ 234.125468 150.1
[M+H-H2O]+ 178.159570 144.2
[M+HCOO]- 240.160511 156.5
[M+CH3COO]- 254.176161 158.9
[M+Na-2H]- 216.136976 162.1
[M]+ 195.16176142 148.7
[M]- 195.16285858 148.7
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