CID 658645

702-82-9

Structural Information

Molecular Formula
C10H17NO
SMILES
C1C2CC3(CC1CC(C2)(C3)O)N
InChI
InChI=1S/C10H17NO/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8,12H,1-6,11H2
InChIKey
DWPIPTNBOVJYAD-UHFFFAOYSA-N
Compound name
3-aminoadamantan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1011
Patents

167.13101 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.13829 139.7
[M+Na]+ 190.12023 143.3
[M-H]- 166.12373 134.0
[M+NH4]+ 185.16483 167.9
[M+K]+ 206.09417 139.8
[M+H-H2O]+ 150.12827 134.3
[M+HCOO]- 212.12921 146.8
[M+CH3COO]- 226.14486 149.0
[M+Na-2H]- 188.10568 152.0
[M]+ 167.13046 137.1
[M]- 167.13156 137.1
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