CID 45121297

214542-56-0

Structural Information

Molecular Formula
C6H9N3S
SMILES
CN1C(=C2CSCC2=N1)N
InChI
InChI=1S/C6H9N3S/c1-9-6(7)4-2-10-3-5(4)8-9/h2-3,7H2,1H3
InChIKey
KGKMOASZDHGIJC-UHFFFAOYSA-N
Compound name
2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.05171 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.058986 129.8
[M+Na]+ 178.040928 140.6
[M-H]- 154.044434 132.4
[M+NH4]+ 173.085533 153.6
[M+K]+ 194.014868 138.5
[M+H-H2O]+ 138.048970 124.3
[M+HCOO]- 200.049911 148.2
[M+CH3COO]- 214.065561 144.1
[M+Na-2H]- 176.026376 131.3
[M]+ 155.05116142 130.4
[M]- 155.05225858 130.4
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.