CID 145915726

Rac-(7r,8r)-5-oxa-2-azaspiro[3.4]octane-7,8-diol hydrochloride

Structural Information

Molecular Formula
C6H11NO3
SMILES
C1[C@H]([C@H](C2(O1)CNC2)O)O
InChI
InChI=1S/C6H11NO3/c8-4-1-10-6(5(4)9)2-7-3-6/h4-5,7-9H,1-3H2/t4-,5-/m1/s1
InChIKey
BBGDMBJRVFBCIR-RFZPGFLSSA-N
Compound name
(7R,8R)-5-oxa-2-azaspiro[3.4]octane-7,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.0739 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.081176 124.4
[M+Na]+ 168.063118 130.0
[M-H]- 144.066624 125.6
[M+NH4]+ 163.107723 138.7
[M+K]+ 184.037058 131.9
[M+H-H2O]+ 128.071160 115.6
[M+HCOO]- 190.072101 139.9
[M+CH3COO]- 204.087751 167.3
[M+Na-2H]- 166.048566 130.2
[M]+ 145.07335142 128.3
[M]- 145.07444858 128.3
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.