CID 18410511

(3-aminoadamantan-1-yl)methanol

Structural Information

Molecular Formula
C11H19NO
SMILES
C1C2CC3(CC1CC(C2)(C3)N)CO
InChI
InChI=1S/C11H19NO/c12-11-4-8-1-9(5-11)3-10(2-8,6-11)7-13/h8-9,13H,1-7,12H2
InChIKey
ZPHFSHWJMOHIAK-UHFFFAOYSA-N
Compound name
(3-amino-1-adamantyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

181.14667 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.153946 144.1
[M+Na]+ 204.135888 147.3
[M-H]- 180.139394 138.2
[M+NH4]+ 199.180493 171.8
[M+K]+ 220.109828 143.6
[M+H-H2O]+ 164.143930 138.6
[M+HCOO]- 226.144871 150.9
[M+CH3COO]- 240.160521 153.0
[M+Na-2H]- 202.121336 155.9
[M]+ 181.14612142 141.9
[M]- 181.14721858 141.9
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