CID 4962560

3-(5-mercapto-4-methyl-4h-1,2,4-triazol-3-yl)propanamide

Structural Information

Molecular Formula
C6H10N4OS
SMILES
CN1C(=NNC1=S)CCC(=O)N
InChI
InChI=1S/C6H10N4OS/c1-10-5(3-2-4(7)11)8-9-6(10)12/h2-3H2,1H3,(H2,7,11)(H,9,12)
InChIKey
XURJWYJEGGMNDL-UHFFFAOYSA-N
Compound name
3-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

186.05753 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.06481 140.2
[M+Na]+ 209.04675 149.3
[M+NH4]+ 204.09135 146.0
[M+K]+ 225.02069 145.3
[M-H]- 185.05025 138.8
[M+Na-2H]- 207.03220 142.4
[M]+ 186.05698 141.0
[M]- 186.05808 141.0
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