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 141.6
[M+Na]+ 222.07368 146.6
[M-H]- 198.07718 146.2
[M+NH4]+ 217.11828 157.3
[M+K]+ 238.04762 147.7
[M+H-H2O]+ 182.08172 135.1
[M+HCOO]- 244.08266 158.0
[M+CH3COO]- 258.09831 178.1
[M+Na-2H]- 220.05913 145.1
[M]+ 199.08391 138.7
[M]- 199.08501 138.7
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.