CID 135147366

2104986-10-7

Structural Information

Molecular Formula
C9H13NO4
SMILES
CC(C)C(C1=CC(=O)NO1)C(=O)OC
InChI
InChI=1S/C9H13NO4/c1-5(2)8(9(12)13-3)6-4-7(11)10-14-6/h4-5,8H,1-3H3,(H,10,11)
InChIKey
QGWCBGOUMCNLQU-UHFFFAOYSA-N
Compound name
methyl 3-methyl-2-(3-oxo-1,2-oxazol-5-yl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

199.08446 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.09174 141.7
[M+Na]+ 222.07368 149.3
[M-H]- 198.07718 143.7
[M+NH4]+ 217.11828 159.4
[M+K]+ 238.04762 149.7
[M+H-H2O]+ 182.08172 135.9
[M+HCOO]- 244.08266 161.6
[M+CH3COO]- 258.09831 181.1
[M+Na-2H]- 220.05913 143.7
[M]+ 199.08391 144.3
[M]- 199.08501 144.3
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