CID 165948979

2-[(1z)-3-oxo-hexahydro-1h-[1,3]oxazolo[3,4-a]pyridin-1-ylidene]acetic acid

Structural Information

Molecular Formula
C9H11NO4
SMILES
C1CCN2C(C1)/C(=C/C(=O)O)/OC2=O
InChI
InChI=1S/C9H11NO4/c11-8(12)5-7-6-3-1-2-4-10(6)9(13)14-7/h5-6H,1-4H2,(H,11,12)/b7-5-
InChIKey
IZMICTCNRZZDCG-ALCCZGGFSA-N
Compound name
(2Z)-2-(3-oxo-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-1-ylidene)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.0688 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07608 142.0
[M+Na]+ 220.05802 150.4
[M+NH4]+ 215.10262 148.4
[M+K]+ 236.03196 148.8
[M-H]- 196.06152 141.8
[M+Na-2H]- 218.04347 142.1
[M]+ 197.06825 142.5
[M]- 197.06935 142.5
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.