CID 146049930

Sodium 2,5-dioxa-6-azaspiro[3.4]oct-6-ene-7-carboxylate

Structural Information

Molecular Formula
C6H7NO4
SMILES
C1C(=NOC12COC2)C(=O)O
InChI
InChI=1S/C6H7NO4/c8-5(9)4-1-6(11-7-4)2-10-3-6/h1-3H2,(H,8,9)
InChIKey
CQWFZPYZWUXZBQ-UHFFFAOYSA-N
Compound name
2,5-dioxa-6-azaspiro[3.4]oct-6-ene-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.0375 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.044776 121.1
[M+Na]+ 180.026718 127.4
[M-H]- 156.030224 125.6
[M+NH4]+ 175.071323 134.6
[M+K]+ 196.000658 132.4
[M+H-H2O]+ 140.034760 111.9
[M+HCOO]- 202.035701 139.5
[M+CH3COO]- 216.051351 172.9
[M+Na-2H]- 178.012166 129.3
[M]+ 157.03695142 130.2
[M]- 157.03804858 130.2
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.