CID 54530476

146098-75-1

Structural Information

Molecular Formula
C6H7NO3
SMILES
COC(=O)CC1=NOC=C1
InChI
InChI=1S/C6H7NO3/c1-9-6(8)4-5-2-3-10-7-5/h2-3H,4H2,1H3
InChIKey
YWEBQYUNWUOOOB-UHFFFAOYSA-N
Compound name
methyl 2-(1,2-oxazol-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

141.04259 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04987 126.2
[M+Na]+ 164.03181 137.2
[M+NH4]+ 159.07641 133.5
[M+K]+ 180.00575 134.9
[M-H]- 140.03531 127.2
[M+Na-2H]- 162.01726 131.0
[M]+ 141.04204 127.8
[M]- 141.04314 127.8
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