CID 155820229

Rac-[(1r,5s,6r)-5-aminobicyclo[3.2.1]octan-6-yl]methanolhydrochloride

Structural Information

Molecular Formula
C9H17NO
SMILES
C1C[C@H]2C[C@@H]([C@@](C1)(C2)N)CO
InChI
InChI=1S/C9H17NO/c10-9-3-1-2-7(5-9)4-8(9)6-11/h7-8,11H,1-6,10H2/t7-,8+,9+/m0/s1
InChIKey
DFYJWLCPYOGFIY-DJLDLDEBSA-N
Compound name
[(1S,5R,6S)-5-amino-6-bicyclo[3.2.1]octanyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.13101 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 134.7
[M+Na]+ 178.12023 140.4
[M-H]- 154.12373 135.3
[M+NH4]+ 173.16483 159.9
[M+K]+ 194.09417 137.7
[M+H-H2O]+ 138.12827 130.7
[M+HCOO]- 200.12921 152.9
[M+CH3COO]- 214.14486 175.7
[M+Na-2H]- 176.10568 140.0
[M]+ 155.13046 128.8
[M]- 155.13156 128.8
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.