CID 66702167

1177423-96-9

Structural Information

Molecular Formula
C6H10N4OS
SMILES
CC(C)NC(=O)C1=NN=C(S1)N
InChI
InChI=1S/C6H10N4OS/c1-3(2)8-4(11)5-9-10-6(7)12-5/h3H,1-2H3,(H2,7,10)(H,8,11)
InChIKey
JTIAKMAGEPWRIF-UHFFFAOYSA-N
Compound name
5-amino-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

186.05753 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.064806 138.6
[M+Na]+ 209.046748 146.5
[M-H]- 185.050254 139.9
[M+NH4]+ 204.091353 157.3
[M+K]+ 225.020688 144.7
[M+H-H2O]+ 169.054790 131.4
[M+HCOO]- 231.055731 156.7
[M+CH3COO]- 245.071381 184.0
[M+Na-2H]- 207.032196 139.5
[M]+ 186.05698142 138.6
[M]- 186.05807858 138.6
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