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]+ 142.04987 123.5
[M+Na]+ 164.03181 133.3
[M-H]- 140.03531 126.9
[M+NH4]+ 159.07641 144.4
[M+K]+ 180.00575 134.1
[M+H-H2O]+ 124.03985 117.8
[M+HCOO]- 186.04079 148.4
[M+CH3COO]- 200.05644 171.2
[M+Na-2H]- 162.01726 131.3
[M]+ 141.04204 128.1
[M]- 141.04314 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