CID 21560565

18398-15-7

Structural Information

Molecular Formula
C4H4N2O2S
SMILES
C1=NSN=C1CC(=O)O
InChI
InChI=1S/C4H4N2O2S/c7-4(8)1-3-2-5-9-6-3/h2H,1H2,(H,7,8)
InChIKey
WIEHDWXQVOBJPC-UHFFFAOYSA-N
Compound name
2-(1,2,5-thiadiazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

143.99934 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.00662 125.4
[M+Na]+ 166.98856 134.8
[M-H]- 142.99206 125.7
[M+NH4]+ 162.03316 145.8
[M+K]+ 182.96250 133.4
[M+H-H2O]+ 126.99660 119.3
[M+HCOO]- 188.99754 142.7
[M+CH3COO]- 203.01319 167.0
[M+Na-2H]- 164.97401 128.4
[M]+ 143.99879 127.1
[M]- 143.99989 127.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe