CID 83814406

2-[(5-methyl-1,3-oxazol-2-yl)methoxy]acetic acid

Structural Information

Molecular Formula
C7H9NO4
SMILES
CC1=CN=C(O1)COCC(=O)O
InChI
InChI=1S/C7H9NO4/c1-5-2-8-6(12-5)3-11-4-7(9)10/h2H,3-4H2,1H3,(H,9,10)
InChIKey
DESNHERLOOJPNP-UHFFFAOYSA-N
Compound name
2-[(5-methyl-1,3-oxazol-2-yl)methoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.05316 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06044 132.4
[M+Na]+ 194.04238 140.8
[M-H]- 170.04588 134.3
[M+NH4]+ 189.08698 151.2
[M+K]+ 210.01632 141.5
[M+H-H2O]+ 154.05042 126.5
[M+HCOO]- 216.05136 154.6
[M+CH3COO]- 230.06701 174.6
[M+Na-2H]- 192.02783 137.9
[M]+ 171.05261 136.2
[M]- 171.05371 136.2
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.