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

18
Patents

173.0688 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07608 134.9
[M+Na]+ 196.05802 140.7
[M-H]- 172.06152 137.4
[M+NH4]+ 191.10262 154.9
[M+K]+ 212.03196 141.6
[M+H-H2O]+ 156.06606 130.6
[M+HCOO]- 218.06700 151.0
[M+CH3COO]- 232.08265 168.8
[M+Na-2H]- 194.04347 139.1
[M]+ 173.06825 130.8
[M]- 173.06935 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