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]+ 196.16959 150.2
[M+Na]+ 218.15153 154.3
[M-H]- 194.15503 144.4
[M+NH4]+ 213.19613 179.2
[M+K]+ 234.12547 150.1
[M+H-H2O]+ 178.15957 144.2
[M+HCOO]- 240.16051 156.5
[M+CH3COO]- 254.17616 158.9
[M+Na-2H]- 216.13698 162.1
[M]+ 195.16176 148.7
[M]- 195.16286 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.