CID 145874353

2375249-63-9

Structural Information

Molecular Formula
C7H13NO2
SMILES
C1CC2(C1)[C@@H]([C@@H](CN2)O)O
InChI
InChI=1S/C7H13NO2/c9-5-4-8-7(6(5)10)2-1-3-7/h5-6,8-10H,1-4H2/t5-,6-/m1/s1
InChIKey
CLQXGIFMFKPAGZ-PHDIDXHHSA-N
Compound name
(7R,8S)-5-azaspiro[3.4]octane-7,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 128.9
[M+Na]+ 166.08386 134.3
[M-H]- 142.08736 129.4
[M+NH4]+ 161.12846 144.6
[M+K]+ 182.05780 134.5
[M+H-H2O]+ 126.09190 120.0
[M+HCOO]- 188.09284 144.9
[M+CH3COO]- 202.10849 168.1
[M+Na-2H]- 164.06931 133.0
[M]+ 143.09409 131.1
[M]- 143.09519 131.1
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

No patent data available for this compound.