CID 71685615

4-(methylsulfanyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C4H7N3S
SMILES
CSC1=C(NN=C1)N
InChI
InChI=1S/C4H7N3S/c1-8-3-2-6-7-4(3)5/h2H,1H3,(H3,5,6,7)
InChIKey
MHSNHSVOPUBWGL-UHFFFAOYSA-N
Compound name
4-methylsulfanyl-1H-pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.03607 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04335 123.6
[M+Na]+ 152.02529 133.7
[M+NH4]+ 147.06989 131.9
[M+K]+ 167.99923 128.6
[M-H]- 128.02879 124.3
[M+Na-2H]- 150.01074 128.1
[M]+ 129.03552 125.4
[M]- 129.03662 125.4
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.