CID 22309104

100047-54-9

Structural Information

Molecular Formula
C6H7NO3
SMILES
CC1=C(C=NO1)C(=O)OC
InChI
InChI=1S/C6H7NO3/c1-4-5(3-7-10-4)6(8)9-2/h3H,1-2H3
InChIKey
AHLBUWIGURZNRZ-UHFFFAOYSA-N
Compound name
methyl 5-methyl-1,2-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

141.04259 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04987 124.2
[M+Na]+ 164.03181 133.8
[M-H]- 140.03531 127.8
[M+NH4]+ 159.07641 145.2
[M+K]+ 180.00575 135.2
[M+H-H2O]+ 124.03985 118.7
[M+HCOO]- 186.04079 148.2
[M+CH3COO]- 200.05644 171.4
[M+Na-2H]- 162.01726 130.8
[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