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]+ 156.05899 129.8
[M+Na]+ 178.04093 140.6
[M-H]- 154.04443 132.4
[M+NH4]+ 173.08553 153.6
[M+K]+ 194.01487 138.5
[M+H-H2O]+ 138.04897 124.3
[M+HCOO]- 200.04991 148.2
[M+CH3COO]- 214.06556 144.1
[M+Na-2H]- 176.02638 131.3
[M]+ 155.05116 130.4
[M]- 155.05226 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.