CID 121553582

2-{[4-(methoxycarbonyl)-1,3-oxazol-5-yl]methoxy}acetic acid

Structural Information

Molecular Formula
C8H9NO6
SMILES
COC(=O)C1=C(OC=N1)COCC(=O)O
InChI
InChI=1S/C8H9NO6/c1-13-8(12)7-5(15-4-9-7)2-14-3-6(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKey
SFTAXOXMGSJWLV-UHFFFAOYSA-N
Compound name
2-[(4-methoxycarbonyl-1,3-oxazol-5-yl)methoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.04298 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.050256 141.0
[M+Na]+ 238.032198 148.9
[M-H]- 214.035704 143.0
[M+NH4]+ 233.076803 157.8
[M+K]+ 254.006138 150.3
[M+H-H2O]+ 198.040240 134.8
[M+HCOO]- 260.041181 162.6
[M+CH3COO]- 274.056831 181.4
[M+Na-2H]- 236.017646 145.0
[M]+ 215.04243142 146.8
[M]- 215.04352858 146.8
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.