CID 62386103

1249683-14-4

Structural Information

Molecular Formula
C9H13NO4
SMILES
C1COCCC1C2=NOC(C2)C(=O)O
InChI
InChI=1S/C9H13NO4/c11-9(12)8-5-7(10-14-8)6-1-3-13-4-2-6/h6,8H,1-5H2,(H,11,12)
InChIKey
LAOORHINADPDSI-UHFFFAOYSA-N
Compound name
3-(oxan-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.08446 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.09174 142.5
[M+Na]+ 222.07368 151.8
[M+NH4]+ 217.11828 149.2
[M+K]+ 238.04762 150.6
[M-H]- 198.07718 145.8
[M+Na-2H]- 220.05913 145.3
[M]+ 199.08391 144.3
[M]- 199.08501 144.3
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.