CID 10855551

Methyl 2-methyloxazole-4-carboxylate

Structural Information

Molecular Formula
C6H7NO3
SMILES
CC1=NC(=CO1)C(=O)OC
InChI
InChI=1S/C6H7NO3/c1-4-7-5(3-10-4)6(8)9-2/h3H,1-2H3
InChIKey
NBBUIANVONUUEM-UHFFFAOYSA-N
Compound name
methyl 2-methyl-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
Patents

141.04259 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04987 125.7
[M+Na]+ 164.03181 137.1
[M+NH4]+ 159.07641 133.1
[M+K]+ 180.00575 135.1
[M-H]- 140.03531 126.8
[M+Na-2H]- 162.01726 130.3
[M]+ 141.04204 127.4
[M]- 141.04314 127.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe