CID 57907601

2-(2-oxo-1,3-oxazinan-3-yl)acetic acid

Structural Information

Molecular Formula
C6H9NO4
SMILES
C1CN(C(=O)OC1)CC(=O)O
InChI
InChI=1S/C6H9NO4/c8-5(9)4-7-2-1-3-11-6(7)10/h1-4H2,(H,8,9)
InChIKey
DZGYGTNFBYWKFM-UHFFFAOYSA-N
Compound name
2-(2-oxo-1,3-oxazinan-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

159.05316 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.060436 130.0
[M+Na]+ 182.042378 136.3
[M-H]- 158.045884 131.2
[M+NH4]+ 177.086983 147.2
[M+K]+ 198.016318 137.0
[M+H-H2O]+ 142.050420 124.0
[M+HCOO]- 204.051361 147.8
[M+CH3COO]- 218.067011 171.9
[M+Na-2H]- 180.027826 135.5
[M]+ 159.05261142 127.9
[M]- 159.05370858 127.9
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

patents stripe