CID 54593302

2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid

Structural Information

Molecular Formula
C6H8N2O4
SMILES
CC1=NOC(=N1)COCC(=O)O
InChI
InChI=1S/C6H8N2O4/c1-4-7-5(12-8-4)2-11-3-6(9)10/h2-3H2,1H3,(H,9,10)
InChIKey
HCLXDMHMZNTZMP-UHFFFAOYSA-N
Compound name
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.0484 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05568 131.9
[M+Na]+ 195.03762 140.8
[M-H]- 171.04112 132.5
[M+NH4]+ 190.08222 149.3
[M+K]+ 211.01156 141.5
[M+H-H2O]+ 155.04566 125.2
[M+HCOO]- 217.04660 153.2
[M+CH3COO]- 231.06225 174.4
[M+Na-2H]- 193.02307 137.7
[M]+ 172.04785 135.9
[M]- 172.04895 135.9
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.