CID 154577385

2418677-94-6

Structural Information

Molecular Formula
C5H6N2O3S
SMILES
COC1=NN=C(S1)CC(=O)O
InChI
InChI=1S/C5H6N2O3S/c1-10-5-7-6-3(11-5)2-4(8)9/h2H2,1H3,(H,8,9)
InChIKey
BXHZXPDGOAIYJQ-UHFFFAOYSA-N
Compound name
2-(5-methoxy-1,3,4-thiadiazol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.00992 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.017196 132.4
[M+Na]+ 196.999138 142.1
[M-H]- 173.002644 133.0
[M+NH4]+ 192.043743 151.8
[M+K]+ 212.973078 140.8
[M+H-H2O]+ 157.007180 126.3
[M+HCOO]- 219.008121 149.6
[M+CH3COO]- 233.023771 173.1
[M+Na-2H]- 194.984586 134.5
[M]+ 174.00937142 136.3
[M]- 174.01046858 136.3
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

No patent data available for this compound.