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

13
Patents

198.0463 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05358 143.1
[M+Na]+ 221.03552 153.9
[M-H]- 197.03902 148.5
[M+NH4]+ 216.08012 157.4
[M+K]+ 237.00946 150.7
[M+H-H2O]+ 181.04356 135.8
[M+HCOO]- 243.04450 161.1
[M+CH3COO]- 257.06015 183.9
[M+Na-2H]- 219.02097 144.2
[M]+ 198.04575 149.2
[M]- 198.04685 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