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]+ 172.060436 132.0
[M+Na]+ 194.042378 139.3
[M-H]- 170.045884 136.4
[M+NH4]+ 189.086983 153.0
[M+K]+ 210.016318 141.0
[M+H-H2O]+ 154.050420 127.6
[M+HCOO]- 216.051361 151.2
[M+CH3COO]- 230.067011 170.8
[M+Na-2H]- 192.027826 137.7
[M]+ 171.05261142 131.2
[M]- 171.05370858 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.