CID 335025

Nsc342975

Structural Information

Molecular Formula
C7H9NO4
SMILES
CC1=NOC(=C1CC(=O)O)OC
InChI
InChI=1S/C7H9NO4/c1-4-5(3-6(9)10)7(11-2)12-8-4/h3H2,1-2H3,(H,9,10)
InChIKey
DBPPPMAFJHBBGQ-UHFFFAOYSA-N
Compound name
2-(5-methoxy-3-methyl-1,2-oxazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.05316 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.060436 131.8
[M+Na]+ 194.042378 141.2
[M-H]- 170.045884 134.1
[M+NH4]+ 189.086983 151.0
[M+K]+ 210.016318 141.8
[M+H-H2O]+ 154.050420 126.3
[M+HCOO]- 216.051361 154.1
[M+CH3COO]- 230.067011 175.8
[M+Na-2H]- 192.027826 136.7
[M]+ 171.05261142 136.1
[M]- 171.05370858 136.1
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

No patent data available for this compound.