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]+ 158.04478 121.1
[M+Na]+ 180.02672 127.4
[M-H]- 156.03022 125.6
[M+NH4]+ 175.07132 134.6
[M+K]+ 196.00066 132.4
[M+H-H2O]+ 140.03476 111.9
[M+HCOO]- 202.03570 139.5
[M+CH3COO]- 216.05135 172.9
[M+Na-2H]- 178.01217 129.3
[M]+ 157.03695 130.2
[M]- 157.03805 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.