CID 39732826

1146299-25-3

Structural Information

Molecular Formula
C8H8N4O2S
SMILES
CC1=C(SC(=C1C(=O)O)N2C=NN=N2)C
InChI
InChI=1S/C8H8N4O2S/c1-4-5(2)15-7(6(4)8(13)14)12-3-9-10-11-12/h3H,1-2H3,(H,13,14)
InChIKey
DRBXCOZZSUUZBK-UHFFFAOYSA-N
Compound name
4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.0368 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04408 147.9
[M+Na]+ 247.02602 159.7
[M+NH4]+ 242.07062 154.0
[M+K]+ 262.99996 157.4
[M-H]- 223.02952 147.7
[M+Na-2H]- 245.01147 152.6
[M]+ 224.03625 149.7
[M]- 224.03735 149.7
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

No patent data available for this compound.