CID 22463506

3,5-diaminoadamantan-1-ol dihydrochloride

Structural Information

Molecular Formula
C10H18N2O
SMILES
C1C2CC3(CC1(CC(C2)(C3)O)N)N
InChI
InChI=1S/C10H18N2O/c11-8-1-7-2-9(12,4-8)6-10(13,3-7)5-8/h7,13H,1-6,11-12H2
InChIKey
AWLFXIYJMNYCRJ-UHFFFAOYSA-N
Compound name
3,5-diaminoadamantan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

182.1419 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.14918 143.4
[M+Na]+ 205.13112 147.8
[M-H]- 181.13462 137.3
[M+NH4]+ 200.17572 172.3
[M+K]+ 221.10506 144.0
[M+H-H2O]+ 165.13916 138.0
[M+HCOO]- 227.14010 150.8
[M+CH3COO]- 241.15575 152.4
[M+Na-2H]- 203.11657 156.2
[M]+ 182.14135 140.1
[M]- 182.14245 140.1
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

patents stripe