CID 3159690

130599-39-2

Structural Information

Molecular Formula
C8H9N3S
SMILES
CC1=C(NN=C1N)C2=CC=CS2
InChI
InChI=1S/C8H9N3S/c1-5-7(10-11-8(5)9)6-3-2-4-12-6/h2-4H,1H3,(H3,9,10,11)
InChIKey
QNJRKFJFJHKCLE-UHFFFAOYSA-N
Compound name
4-methyl-5-thiophen-2-yl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

23
Patents

179.05171 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.05899 134.6
[M+Na]+ 202.04093 146.3
[M-H]- 178.04443 139.0
[M+NH4]+ 197.08553 155.7
[M+K]+ 218.01487 142.1
[M+H-H2O]+ 162.04897 128.3
[M+HCOO]- 224.04991 155.4
[M+CH3COO]- 238.06556 148.9
[M+Na-2H]- 200.02638 136.0
[M]+ 179.05116 135.6
[M]- 179.05226 135.6
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