CID 20099062

893749-91-2

Structural Information

Molecular Formula
C6H7NO3
SMILES
COCC1=CC(=NO1)C=O
InChI
InChI=1S/C6H7NO3/c1-9-4-6-2-5(3-8)7-10-6/h2-3H,4H2,1H3
InChIKey
ZJIQQPKTXCFQBB-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)-1,2-oxazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

141.04259 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.049866 123.5
[M+Na]+ 164.031808 133.3
[M-H]- 140.035314 126.9
[M+NH4]+ 159.076413 144.4
[M+K]+ 180.005748 134.1
[M+H-H2O]+ 124.039850 117.8
[M+HCOO]- 186.040791 148.4
[M+CH3COO]- 200.056441 171.2
[M+Na-2H]- 162.017256 131.3
[M]+ 141.04204142 128.1
[M]- 141.04313858 128.1
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