CID 50994115

1,8-dioxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid

Structural Information

Molecular Formula
C8H11NO4
SMILES
C1COCCC12CC(=NO2)C(=O)O
InChI
InChI=1S/C8H11NO4/c10-7(11)6-5-8(13-9-6)1-3-12-4-2-8/h1-5H2,(H,10,11)
InChIKey
WRSZOAVGXHWMNN-UHFFFAOYSA-N
Compound name
1,8-dioxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

185.0688 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07608 136.4
[M+Na]+ 208.05802 142.5
[M-H]- 184.06152 140.2
[M+NH4]+ 203.10262 155.0
[M+K]+ 224.03196 143.9
[M+H-H2O]+ 168.06606 130.8
[M+HCOO]- 230.06700 153.0
[M+CH3COO]- 244.08265 173.8
[M+Na-2H]- 206.04347 142.9
[M]+ 185.06825 133.8
[M]- 185.06935 133.8
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