CID 145913828

1,7-dioxa-2-azaspiro[4.4]non-2-ene-3-carboxylic acid

Structural Information

Molecular Formula
C7H9NO4
SMILES
C1COCC12CC(=NO2)C(=O)O
InChI
InChI=1S/C7H9NO4/c9-6(10)5-3-7(12-8-5)1-2-11-4-7/h1-4H2,(H,9,10)
InChIKey
NEYRGUBSJPQXCR-UHFFFAOYSA-N
Compound name
1,7-dioxa-2-azaspiro[4.4]non-2-ene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.05316 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06044 132.0
[M+Na]+ 194.04238 139.3
[M-H]- 170.04588 136.4
[M+NH4]+ 189.08698 153.0
[M+K]+ 210.01632 141.0
[M+H-H2O]+ 154.05042 127.6
[M+HCOO]- 216.05136 151.2
[M+CH3COO]- 230.06701 170.8
[M+Na-2H]- 192.02783 137.7
[M]+ 171.05261 131.2
[M]- 171.05371 131.2
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.