CID 6115823

92340-62-0

Structural Information

Molecular Formula
C7H7N3O3S
SMILES
CC1=NN=C(S1)NC(=O)/C=C/C(=O)O
InChI
InChI=1S/C7H7N3O3S/c1-4-9-10-7(14-4)8-5(11)2-3-6(12)13/h2-3H,1H3,(H,12,13)(H,8,10,11)/b3-2+
InChIKey
HFVBPZSRKLSUOJ-NSCUHMNNSA-N
Compound name
(E)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.02081 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.028086 144.4
[M+Na]+ 236.010028 152.6
[M-H]- 212.013534 144.7
[M+NH4]+ 231.054633 161.7
[M+K]+ 251.983968 149.9
[M+H-H2O]+ 196.018070 137.6
[M+HCOO]- 258.019011 161.2
[M+CH3COO]- 272.034661 181.9
[M+Na-2H]- 233.995476 145.0
[M]+ 213.02026142 146.0
[M]- 213.02135858 146.0
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