CID 82411882

2839139-12-5

Structural Information

Molecular Formula
C6H8N2O2S
SMILES
CCC1=NSC(=N1)CC(=O)O
InChI
InChI=1S/C6H8N2O2S/c1-2-4-7-5(11-8-4)3-6(9)10/h2-3H2,1H3,(H,9,10)
InChIKey
XXSNMGZGRFRAPV-UHFFFAOYSA-N
Compound name
2-(3-ethyl-1,2,4-thiadiazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.03065 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03793 133.9
[M+Na]+ 195.01987 143.4
[M-H]- 171.02337 134.3
[M+NH4]+ 190.06447 153.5
[M+K]+ 210.99381 141.4
[M+H-H2O]+ 155.02791 127.8
[M+HCOO]- 217.02885 150.5
[M+CH3COO]- 231.04450 174.1
[M+Na-2H]- 193.00532 135.3
[M]+ 172.03010 136.8
[M]- 172.03120 136.8
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.