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]+ 216.05026 141.0
[M+Na]+ 238.03220 148.9
[M-H]- 214.03570 143.0
[M+NH4]+ 233.07680 157.8
[M+K]+ 254.00614 150.3
[M+H-H2O]+ 198.04024 134.8
[M+HCOO]- 260.04118 162.6
[M+CH3COO]- 274.05683 181.4
[M+Na-2H]- 236.01765 145.0
[M]+ 215.04243 146.8
[M]- 215.04353 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.