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 140.2
[M+Na]+ 220.05802 146.8
[M-H]- 196.06152 142.0
[M+NH4]+ 215.10262 158.8
[M+K]+ 236.03196 145.7
[M+H-H2O]+ 180.06606 134.8
[M+HCOO]- 242.06700 156.2
[M+CH3COO]- 256.08265 178.7
[M+Na-2H]- 218.04347 143.1
[M]+ 197.06825 136.9
[M]- 197.06935 136.9
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.