CID 102537417

Ethyl 5-cyclopropyl-1,3,4-thiadiazole-2-carboxylate

Structural Information

Molecular Formula
C8H10N2O2S
SMILES
CCOC(=O)C1=NN=C(S1)C2CC2
InChI
InChI=1S/C8H10N2O2S/c1-2-12-8(11)7-10-9-6(13-7)5-3-4-5/h5H,2-4H2,1H3
InChIKey
UEARHRMLGMIDMJ-UHFFFAOYSA-N
Compound name
ethyl 5-cyclopropyl-1,3,4-thiadiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

198.0463 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.053576 143.1
[M+Na]+ 221.035518 153.9
[M-H]- 197.039024 148.5
[M+NH4]+ 216.080123 157.4
[M+K]+ 237.009458 150.7
[M+H-H2O]+ 181.043560 135.8
[M+HCOO]- 243.044501 161.1
[M+CH3COO]- 257.060151 183.9
[M+Na-2H]- 219.020966 144.2
[M]+ 198.04575142 149.2
[M]- 198.04684858 149.2
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

patents stripe