CID 138987519

Rac-(7r,8s)-5-azaspiro[2.6]nonane-7,8-diol hydrochloride

Structural Information

Molecular Formula
C8H15NO2
SMILES
C1CC12C[C@@H]([C@@H](CNC2)O)O
InChI
InChI=1S/C8H15NO2/c10-6-3-8(1-2-8)5-9-4-7(6)11/h6-7,9-11H,1-5H2/t6-,7+/m0/s1
InChIKey
FGUMRIICVACITC-NKWVEPMBSA-N
Compound name
(7R,8S)-5-azaspiro[2.6]nonane-7,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 128.4
[M+Na]+ 180.099498 133.9
[M-H]- 156.103004 130.6
[M+NH4]+ 175.144103 142.2
[M+K]+ 196.073438 134.9
[M+H-H2O]+ 140.107540 123.3
[M+HCOO]- 202.108481 143.2
[M+CH3COO]- 216.124131 174.3
[M+Na-2H]- 178.084946 134.0
[M]+ 157.10973142 121.6
[M]- 157.11082858 121.6
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.