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]+ 175.01720 132.4
[M+Na]+ 196.99914 142.1
[M-H]- 173.00264 133.0
[M+NH4]+ 192.04374 151.8
[M+K]+ 212.97308 140.8
[M+H-H2O]+ 157.00718 126.3
[M+HCOO]- 219.00812 149.6
[M+CH3COO]- 233.02377 173.1
[M+Na-2H]- 194.98459 134.5
[M]+ 174.00937 136.3
[M]- 174.01047 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.