CID 12811374

75776-51-1

Structural Information

Molecular Formula
C7H11NO4
SMILES
C1COC2(O1)C[C@H](NC2)C(=O)O
InChI
InChI=1S/C7H11NO4/c9-6(10)5-3-7(4-8-5)11-1-2-12-7/h5,8H,1-4H2,(H,9,10)/t5-/m0/s1
InChIKey
WRHPVRWALQQWHH-YFKPBYRVSA-N
Compound name
(8S)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

173.0688 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.076076 134.9
[M+Na]+ 196.058018 140.7
[M-H]- 172.061524 137.4
[M+NH4]+ 191.102623 154.9
[M+K]+ 212.031958 141.6
[M+H-H2O]+ 156.066060 130.6
[M+HCOO]- 218.067001 151.0
[M+CH3COO]- 232.082651 168.8
[M+Na-2H]- 194.043466 139.1
[M]+ 173.06825142 130.8
[M]- 173.06934858 130.8
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

patents stripe