CID 165719181

4-aminoadamantane-1,3-diol hydrochloride

Structural Information

Molecular Formula
C10H17NO2
SMILES
C1C2CC3(CC1C(C(C2)(C3)O)N)O
InChI
InChI=1S/C10H17NO2/c11-8-7-1-6-2-9(12,4-7)5-10(8,13)3-6/h6-8,12-13H,1-5,11H2
InChIKey
YOMDOLQIAXIFDJ-UHFFFAOYSA-N
Compound name
4-aminoadamantane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.12593 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 143.6
[M+Na]+ 206.11515 147.7
[M-H]- 182.11865 136.8
[M+NH4]+ 201.15975 170.8
[M+K]+ 222.08909 144.1
[M+H-H2O]+ 166.12319 139.0
[M+HCOO]- 228.12413 149.3
[M+CH3COO]- 242.13978 152.5
[M+Na-2H]- 204.10060 155.3
[M]+ 183.12538 141.4
[M]- 183.12648 141.4
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.