CID 2735377

118430-78-7

Structural Information

Molecular Formula
C8H9N3S
SMILES
CN1C(=CC(=N1)C2=CC=CS2)N
InChI
InChI=1S/C8H9N3S/c1-11-8(9)5-6(10-11)7-3-2-4-12-7/h2-5H,9H2,1H3
InChIKey
NFTITKUYTQZKIZ-UHFFFAOYSA-N
Compound name
1-methyl-3-thiophen-2-ylpyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

78
Patents

179.05171 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.058986 134.4
[M+Na]+ 202.040928 146.6
[M-H]- 178.044434 140.2
[M+NH4]+ 197.085533 156.3
[M+K]+ 218.014868 143.3
[M+H-H2O]+ 162.048970 127.9
[M+HCOO]- 224.049911 156.7
[M+CH3COO]- 238.065561 149.5
[M+Na-2H]- 200.026376 136.1
[M]+ 179.05116142 137.2
[M]- 179.05225858 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe