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

8
Patents

182.1419 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.149176 143.4
[M+Na]+ 205.131118 147.8
[M-H]- 181.134624 137.3
[M+NH4]+ 200.175723 172.3
[M+K]+ 221.105058 144.0
[M+H-H2O]+ 165.139160 138.0
[M+HCOO]- 227.140101 150.8
[M+CH3COO]- 241.155751 152.4
[M+Na-2H]- 203.116566 156.2
[M]+ 182.14135142 140.1
[M]- 182.14244858 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