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 122.6
[M+Na]+ 152.02529 132.4
[M-H]- 128.02879 122.7
[M+NH4]+ 147.06989 143.6
[M+K]+ 167.99923 129.5
[M+H-H2O]+ 112.03333 116.6
[M+HCOO]- 174.03427 140.6
[M+CH3COO]- 188.04992 168.2
[M+Na-2H]- 150.01074 125.6
[M]+ 129.03552 121.5
[M]- 129.03662 121.5
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

patents stripe