CID 12040836

64040-59-1

Structural Information

Molecular Formula
C5H5N3OS
SMILES
CC1=CSC2=NNC(=O)N12
InChI
InChI=1S/C5H5N3OS/c1-3-2-10-5-7-6-4(9)8(3)5/h2H,1H3,(H,6,9)
InChIKey
ATZZCKSRMODIOM-UHFFFAOYSA-N
Compound name
5-methyl-2H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

155.01534 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.02262 126.8
[M+Na]+ 178.00456 140.9
[M-H]- 154.00806 128.3
[M+NH4]+ 173.04916 149.4
[M+K]+ 193.97850 138.0
[M+H-H2O]+ 138.01260 121.6
[M+HCOO]- 200.01354 145.8
[M+CH3COO]- 214.02919 142.0
[M+Na-2H]- 175.99001 130.3
[M]+ 155.01479 131.1
[M]- 155.01589 131.1
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